From owner-chemistry@ccl.net Fri Jul 11 01:21:00 2025 From: "jaleel uc jaleeluc()ospfound.org" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55377-250709122512-2237-YDamOFQoQzLB6Zpa6LpK2g~!~server.ccl.net> X-Original-From: jaleel uc Content-Type: multipart/alternative; boundary="000000000000e307b60639818460" Date: Wed, 9 Jul 2025 21:54:52 +0530 MIME-Version: 1.0 Sent to CCL by: jaleel uc [jaleeluc**ospfound.org] --000000000000e307b60639818460 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Dear Jan, First and foremost, thank you for your immense dedication to maintaining the CCL mailing list for so many years. It has been an invaluable resource for the computational chemistry community. On behalf of the Open source Pharma Foundation, we are very interested in exploring the possibility of preserving the CCL archives as a knowledge treasure for future generations. We believe that this extensive collection of discussions and insights holds significant historical and technical value. We would be grateful if you could provide us with an estimate of the expenses involved in statically preserving the CCL archives. Understanding the financial commitment would be crucial for us to assess how we might be able to contribute to this important endeavor. Thank you again for your service. Jaleel www.ospfound.org On Wed, 9 Jul 2025, 20:39 Ludwig Pinienwald pideca55!=3D!gmail.com, < owner-chemistry^-^ccl.net> wrote: > Beside all the known merits of Jan Labanowski, I have to remark that I > accidentally got to know him as a visceral russophob, a sincere hater of > Russia and Russians for some reason only he knows. > Ludwig > > > > On Wed, Jul 9, 2025 at 5:04=E2=80=AFAM Jan Labanowski jasienku|a|gmail.co= m < > owner-chemistry%%ccl.net > wrote: > >> Dear CCL Subscribers, >> >> CCL Closure >> >> With some melancholic feelings I need to announce that I will be closing >> the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no >> longer distribute messages to CCL Subscribers. It will happen within a w= eek >> or two. This service is just no longer used, that is, it is no longer >> needed. Yet, operating this kind of service is a lot of work due to the >> overwhelming level of spam attempts and also exploits to attack the serv= er. >> On top of this, I am getting senile, and keeping up with these developme= nts >> becomes a burden. So, at some point (a week or two) the address >> chemistry-#-ccl.net and corresponding Web pages to submit messages to >> the list, will no longer distribute email to subscribers. >> >> I will try to keep the CCL Web site running for a bit longer, so if you >> need to grab something from there, you still have a month or two. Also, >> since there are some unexpired position openings announcements ( >> https://server.ccl.net/jobs ), I need to run this site, as it was my >> commitment. I plan to do some traveling later this summer and fall, and = I >> will probably close the CCL Web site at this time. Leaving the server >> without monitoring is becoming a very risky proposition lately. >> >> I would like to thank all CCL participants, for being with me. Some of >> you were members of CCL Community for a long time. It makes me believe, >> that at some point, it was a useful service, and it helped Computational >> Chemistry to gain more popularity. >> >> Thank you for participating... It was a honor! >> >> Jan Labanowski >> jasienku-#-gmail.com , ccl-#-ccl.net >> >> --000000000000e307b60639818460 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Dear Jan,

First and foremost, thank you for your i= mmense dedication to maintaining the CCL mailing list for so many years. It= has been an invaluable resource for the computational chemistry community.=

On behalf of the Open source Pharma Foundation, we are very interes= ted in exploring the possibility of preserving the CCL archives as a knowle= dge treasure for future generations. We believe that this extensive collect= ion of discussions and insights holds significant historical and technical = value.

We would be grateful if you could provide us with an estimate= of the expenses involved in statically preserving the CCL archives. Unders= tanding the financial commitment would be crucial for us to assess how we m= ight be able to contribute to this important endeavor.

Thank you aga= in for your service.

Jaleel
w= ww.ospfound.org


On Wed, 9 Jul 2= 025, 20:39 Ludwig Pinienwald pideca55!=3D!gmai= l.com, <owner-chemistry^-^c= cl.net> wrote:
Beside all the known m= erits of Jan Labanowski, I have to remark that I accidentally got to know h= im as a visceral russophob, a sincere hater of Russia and Russians for some= reason only he=20 knows.
Ludwig



On Wed, Jul 9, 2025 at 5:04=E2=80=AFAM Jan Labano= wski jasienku|a|gmail.com <owner-chemistry%%ccl.net> wrote:
D= ear CCL Subscribers,

CCL Closure

With some melancholic feelin= gs I need to announce that I will be closing the CCL Mailing list, i.e., th= e mail sent to chemistry-#-ccl.net will no longer distribute messages = to CCL Subscribers. It will happen within a week or two. This service is ju= st no longer used, that is, it is no longer needed. Yet, operating this kin= d of service is a lot of work due to the overwhelming level of spam attempt= s and also exploits to attack the server. On top of this, I am getting seni= le, and keeping up with these developments becomes a burden. So, at some po= int (a week or two) the address chemistry-#-ccl.net and corresponding = Web pages to submit messages to the list, will no longer distribute email t= o subscribers.

I will try to keep the CCL Web site running for a bit= longer, so if you need to grab something from there, you still have a mont= h or two. Also, since there are some unexpired position openings announceme= nts ( https://server.ccl.net/jobs ), I need to run this site, as it w= as my commitment. I plan to do some traveling later this summer and fall, a= nd I will probably close the CCL Web site at this time. Leaving the server = without monitoring is becoming a very risky proposition lately.

I wo= uld like to thank all CCL participants, for being with me. Some of you were= members of CCL Community for a long time. It makes me believe, that at som= e point, it was a useful service, and it helped Computational Chemistry to = gain more popularity.

Thank you for participating... It was a honor= !

Jan Labanowski
jasienku-#-gmail.com , ccl-#-ccl.net
<= br>
--000000000000e307b60639818460-- From owner-chemistry@ccl.net Fri Jul 11 01:56:01 2025 From: "Brian Skinn brian.skinn[-]gmail.com" To: CCL Subject: CCL: Preservation of the CCL archive Message-Id: <-55378-250709141535-29263-cf67UhEWWKfZFmkMc4eHiw:+:server.ccl.net> X-Original-From: Brian Skinn Content-Type: multipart/alternative; boundary="000000000000a52a9a0639830f55" Date: Wed, 9 Jul 2025 14:15:14 -0400 MIME-Version: 1.0 Sent to CCL by: Brian Skinn [brian.skinn|,|gmail.com] --000000000000a52a9a0639830f55 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Starting a new thread to keep the topics separate. Inspired by many CCL list members and in collaboration with Alexandre Hocquet and Fr=C3=A9d=C3=A9ric Wieber, I've written Python tooling to scrap= e messages > from the ccl.net web archive and store them in a SQLite database. We have the entire history of CCL through June 2025 in a single ~50MB gzipped SQLite database file, stored both on my laptop and in a University of Lorraine cloud system for redundancy. Once Jan shuts off submissions to CCL, I will scrape the remaining posts to generate a complete archive. Right now, this database file is not publicly available. It would be trivial, technically, to make it available, by posting it for download on some suitable service. The suggestion of Zenodo seems quite apt. Anyone interested could then run whatever SQL queries they wished against the file. I should be able to generate a SQL schema for the database pretty easily, as a supporting published artifact. However, my scraping code includes logic to de-obfuscate email addresses, for the purpose of accurately associating different messages sent from the same email account. Given that the database contains hundreds (at least) of such de-obfuscated email addresses, I suspect there are privacy considerations to any publication effort. The obfuscated email addresses are arguably already public information, since they are publicly posted and easy for a human to decode. But, the point of the obfuscation is making them difficult to exploit at-scale. A database with *de-obfuscated* email addresses would be much easier to exploit in an automated way, and thus (I expect) has more significant privacy implications. I have neither the expertise to correctly handle release of this, if special handling is required, nor the spare time or resources to figure out the correct approach. But, I am interested in working with others to make it happen. Anyone interested, please let me know. Thanks, Brian --000000000000a52a9a0639830f55 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Startin= g a new thread to keep the topics separate.

Inspired by = many CCL list members and in collaboration with Alexandre Hocquet and Fr=C3= =A9d=C3=A9ric Wieber, I've written Python tooling to scrape messages fr= om the ccl.net=C2=A0web ar= chive and store them in a SQLite database. We have the entire history of CC= L through June 2025 in a single ~50MB gzipped SQLite database=C2=A0file, st= ored both on my laptop and in a University of Lorraine cloud system for red= undancy.

Once Jan shuts off submissions to CCL, I = will scrape the remaining posts to generate a complete archive.
<= br>
Right now, this database=C2=A0file is not publicly available.= It would be trivial, technically, to make it available, by posting it for = download on some suitable service. The suggestion of Zenodo seems quite apt= . Anyone interested could then run whatever SQL queries they wished against= the file. I should be able to generate a SQL schema for the database prett= y easily, as a supporting published artifact.

Howe= ver, my=C2=A0scraping code includes logic to de-obfuscate email addresses,= =C2=A0for the purpose of accurately associating different messages sent fro= m the same email account. Given that the database contains hundreds (at lea= st) of such de-obfuscated email addresses, I suspect there are privacy cons= iderations to any publication effort. The obfuscated email addresses are ar= guably already public information, since they are publicly posted and easy = for a human to decode. But, the point of the obfuscation is making them dif= ficult to exploit at-scale. A database with *de-obfuscated* email addresses= would be much easier to exploit in an automated way, and thus (I expect) h= as more significant privacy implications.

I have n= either the expertise to correctly handle release of this, if special handli= ng is required, nor the spare time or resources to figure=C2=A0out the corr= ect approach. But, I am interested in working with others to make it happen= .

Anyone interested, please let me know.


Thanks,
Brian
--000000000000a52a9a0639830f55-- From owner-chemistry@ccl.net Fri Jul 11 02:31:01 2025 From: "Laurence Cuffe cuffe_-_mac.com" To: CCL Subject: CCL:G: The CCL goes away.... Message-Id: <-55379-250709143941-30790-jhJc+tC82OEBIUhHGhY2iQ(0)server.ccl.net> X-Original-From: Laurence Cuffe Content-Type: multipart/alternative; boundary="Apple-Mail=_CB9C1DED-1886-4985-ADFA-E4C22DF8BAB6" Date: Wed, 9 Jul 2025 19:39:25 +0100 Mime-Version: 1.0 (Mac OS X Mail 11.5 \(3445.9.7\)) Sent to CCL by: Laurence Cuffe [cuffe[*]mac.com] --Apple-Mail=_CB9C1DED-1886-4985-ADFA-E4C22DF8BAB6 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=utf-8 Watoc, London 1999. I was just starting my Ph.D. and it was the first = serious scientific conference I had ever attended. On my own. Character = in Bleu shorts with an Afro haircut bounced down the Isle, to make a = presentation.=20 Jan Labanowski. Good God, senior scientists can be human too! Job interview, on the telephone with Gaussian. 2005, =E2=80=9CWe saw = some of your contributions to the CCL, can you fly over to meet us, we = think you might=E2=80=A6=E2=80=9D Me and my Family moved to Wallingford = Ct. where I worked with Gausian for six months, and in a couple of = American Universities for a couple of years after that. I=E2=80=99ve long left computational chemistry, but I can definitely = state that the CCL changed my life. Thanks Jan, for everything. Dr. Laurence Cuffe > On 9 Jul 2025, at 15:36, Brian Skinn brian.skinn%a%gmail.com = > wrote: >=20 > Thank you, Jan, for your vision in creating CCL and all of your hard = work keeping it running over the years. My engagement with computational = and quantum chemistry has always been as a side interest, and CCL = provided me a window into many interesting discussions on the topic. >=20 > -Brian >=20 > On Wed, Jul 9, 2025 at 10:07=E2=80=AFAM Igor Filippov = filippov.iv_._phystech.edu = > wrote: > Dear Jan, >=20 > This is truly the end of an era. Extremely sorry to get this news - = CCL means a lot to me and had an enormous impact on my life. Best wishes = and many thanks for you tireless work! >=20 > I was wondering if you may consider uploading the archives to a public = repository like github or similar? I think it would be a valuable = resource and a tangible lasting memory of your impact. >=20 > Best wishes, > Igor >=20 > On Jul 8, 2025 9:42 PM, "Jan Labanowski jasienku|a|gmail.com = " > wrote: > Dear CCL Subscribers, >=20 > CCL Closure >=20 > With some melancholic feelings I need to announce that I will be = closing the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net = will no longer distribute messages to CCL = Subscribers. It will happen within a week or two. This service is just = no longer used, that is, it is no longer needed. Yet, operating this = kind of service is a lot of work due to the overwhelming level of spam = attempts and also exploits to attack the server. On top of this, I am = getting senile, and keeping up with these developments becomes a burden. = So, at some point (a week or two) the address chemistry-#-ccl.net = and corresponding Web pages to submit = messages to the list, will no longer distribute email to subscribers. >=20 > I will try to keep the CCL Web site running for a bit longer, so if = you need to grab something from there, you still have a month or two. = Also, since there are some unexpired position openings announcements ( = https://server.ccl.net/jobs ), I need to = run this site, as it was my commitment. I plan to do some traveling = later this summer and fall, and I will probably close the CCL Web site = at this time. Leaving the server without monitoring is becoming a very = risky proposition lately. >=20 > I would like to thank all CCL participants, for being with me. Some of = you were members of CCL Community for a long time. It makes me believe, = that at some point, it was a useful service, and it helped Computational = Chemistry to gain more popularity.=20 >=20 > Thank you for participating... It was a honor! >=20 > Jan Labanowski > jasienku-#-gmail.com , ccl-#-ccl.net = >=20 >=20 --Apple-Mail=_CB9C1DED-1886-4985-ADFA-E4C22DF8BAB6 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=utf-8
Watoc, London 1999. I = was just starting my Ph.D. and it was the first serious scientific = conference I had ever attended. On my own. Character in Bleu shorts with = an Afro haircut bounced down the Isle, to make a presentation. 
Jan Labanowski.  Good God, senior scientists can be = human too!
Job interview, on the telephone with = Gaussian. 2005, =E2=80=9CWe saw some of your contributions to the CCL, = can you fly over to meet us, we think you might=E2=80=A6=E2=80=9D Me and = my Family moved to Wallingford Ct. where I worked with Gausian for six = months, and in a couple of American Universities for a couple of years = after that.
I=E2=80=99ve long left computational = chemistry, but I can definitely state that the CCL changed my = life.
Thanks Jan, for everything.

Dr. Laurence = Cuffe


On 9 Jul = 2025, at 15:36, Brian Skinn brian.skinn%a%gmail.com <owner-chemistry . ccl.net> wrote:

Thank you, Jan, for your vision in creating CCL and all of = your hard work keeping it running over the years. My engagement with = computational and quantum chemistry has always been as a side interest, = and CCL provided me a window into many interesting discussions on the = topic.

-Brian

On Wed, Jul = 9, 2025 at 10:07=E2=80=AFAM Igor Filippov filippov.iv_._phystech.edu <owner-chemistry##ccl.net> wrote:
Dear = Jan,

This is truly the end of an era. Extremely sorry to get this = news - CCL means a lot to me and had an enormous impact on my life. Best = wishes and many thanks for you tireless work!

I was = wondering if you may consider uploading the archives to a public = repository like github or similar? I think it would be a valuable = resource and a tangible lasting memory of your impact.

Best wishes,
Igor

On Jul 8, 2025 9:42 PM, "Jan Labanowski = jasienku|a|gmail.com" <owner-chemistry##ccl.net> wrote:
Dear CCL Subscribers,

CCL Closure

With = some melancholic feelings I need to announce that I will be closing the = CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no longer distribute messages to = CCL Subscribers. It will happen within a week or two. This service is = just no longer used, that is, it is no longer needed. Yet, operating = this kind of service is a lot of work due to the overwhelming level of = spam attempts and also exploits to attack the server. On top of this, I = am getting senile, and keeping up with these developments becomes a = burden. So, at some point (a week or two) the address chemistry-#-ccl.net and corresponding Web pages to submit = messages to the list, will no longer distribute email to subscribers.

I will try to keep the CCL Web site running = for a bit longer, so if you need to grab something from there, you still = have a month or two. Also, since there are some unexpired position = openings announcements ( https://server.ccl.net/jobs ), I need = to run this site, as it was my commitment. I plan to do some traveling = later this summer and fall, and I will probably close the CCL Web site = at this time. Leaving the server without monitoring is becoming a very = risky proposition lately.

I would like to = thank all CCL participants, for being with me. Some of you were members = of CCL Community for a long time. It makes me believe, that at some = point, it was a useful service, and it helped Computational Chemistry to = gain more popularity.

Thank you for = participating... It was a honor!

Jan = Labanowski
jasienku-#-gmail.com , ccl-#-ccl.net



= --Apple-Mail=_CB9C1DED-1886-4985-ADFA-E4C22DF8BAB6-- From owner-chemistry@ccl.net Fri Jul 11 03:06:01 2025 From: "Geoffrey Hutchison geoff.hutchison],[gmail.com" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55380-250709144411-5737-dOYefeit416TNAAovaGh4Q++server.ccl.net> X-Original-From: Geoffrey Hutchison Content-Type: multipart/alternative; boundary="000000000000f9bc0006398375bc" Date: Wed, 9 Jul 2025 18:44:01 +0000 MIME-Version: 1.0 (Mimestream 1.7.1) Sent to CCL by: Geoffrey Hutchison [geoff.hutchison .. gmail.com] --000000000000f9bc0006398375bc Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Dear Jan, Like many, I=E2=80=99m sad to see the CCL go away. It=E2=80=99s been a grea= t resource. I=E2=80=99ve used it for years, and it has been a huge influence in the development of computational chemistry over the decades. Your efforts will be missed and know that in many ways you have shaped the field for the better. It=E2=80=99s not easy to keep and grow a community re= source for decades. Many thanks and best wishes! It might be useful to suggest places we can still go for help with > computational chemistry difficulties. I suppose stack exchange is one. > Anywhere else? > There are two potential Stack Exchange sites: Matter Modeling - https://mattermodeling.stackexchange.com/ There=E2=80=99s also a relevant Reddit: /r/comp_chem: https://www.reddit.com/r/comp_chem/ Best regards, -Geoff --- Prof. Geoffrey Hutchison (he/him) Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geoffh]~[pitt.edu web: https://hutchisonlab.org/ --000000000000f9bc0006398375bc Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Dear Jan,

Like many, I=E2=80=99m sad to see the CCL go away. It=E2=80=99s been a = great resource. I=E2=80=99ve used it for years, and it has been a huge infl= uence in the development of computational chemistry over the decades.
=

Your efforts will be missed and know that in many ways you hav= e shaped the field for the better. It=E2=80=99s not easy to keep and grow a= community resource for decades.

Many thanks and best wis= hes!

It might = be useful to suggest places we can still go for help with computational che= mistry difficulties. I suppose stack exchange is one. Anywhere else?
<= /div>

There are two potential Stack = Exchange sites:
Matter Modeling= -=C2=A0https://matte= rmodeling.stackexchange.com/=C2=A0

There=E2=80=99= s also a relevant Reddit:
/r/co= mp_chem:=C2=A0https://www.r= eddit.com/r/comp_chem/

=
Best regards,
-Geoff

---
Prof. Geof= frey Hutchison (he/him)
Departm= ent of Chemistry
University of = Pittsburgh
tel: (412) 648-0492<= /div>
email: geoffh]~[pitt.edu
= web: https://hutchisonlab.org/=C2= =A0
--000000000000f9bc0006398375bc-- From owner-chemistry@ccl.net Fri Jul 11 03:41:00 2025 From: "Derek Cashman derek.cashman . gmail.com" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55381-250709145532-23654-46SE5f8Q5QZTUXYuIMsitw++server.ccl.net> X-Original-From: Derek Cashman Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_SA3PR13MB6257F85F31E78CE7A31246BCF649ASA3PR13MB6257namp_" Date: Wed, 9 Jul 2025 18:55:22 +0000 MIME-Version: 1.0 Sent to CCL by: Derek Cashman [derek.cashman|*|gmail.com] --_000_SA3PR13MB6257F85F31E78CE7A31246BCF649ASA3PR13MB6257namp_ Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: quoted-printable Thank you for everything you've done keeping CCL going! It seems like it's = been a lot of work, and it's time for a bit of a shift to something new. On= another note, I'm not so sure that I would get rid of the ccl.net domain n= ame too soon. Three-letter domain names are hard to come by these days, and= while email lists seem to be going the way of the dinosaur, maybe developi= ng the domain on a co-hosted, co-located server into a computational chemis= try resource website would be a good thing moving forward for the community= . It would also be a shame to let the domain go only to get picked up by so= me scammer trying to sell us something. ________________________________ > From: owner-chemistry+derek.cashman=3D=3Dgmail.com%%ccl.net on behalf of Jan Labanowski jasienku= |a|gmail.com Sent: Tuesday, July 8, 2025 8:42 PM To: Cashman, Derek Subject: CCL: The CCL goes away.... Dear CCL Subscribers, CCL Closure With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no longer distribute messages to CCL Subscribers. It w= ill happen within a week or two. This service is just no longer used, that = is, it is no longer needed. Yet, operating this kind of service is a lot of= work due to the overwhelming level of spam attempts and also exploits to a= ttack the server. On top of this, I am getting senile, and keeping up with = these developments becomes a burden. So, at some point (a week or two) the = address chemistry-#-ccl.net and corresponding W= eb pages to submit messages to the list, will no longer distribute email to= subscribers. I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.c= cl.net/jobs ), I need to run this site, as it was my commitment. I plan to = do some traveling later this summer and fall, and I will probably close the= CCL Web site at this time. Leaving the server without monitoring is becomi= ng a very risky proposition lately. I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity. Thank you for participating... It was a honor! Jan Labanowski jasienku-#-gmail.com , ccl-#-ccl.net --_000_SA3PR13MB6257F85F31E78CE7A31246BCF649ASA3PR13MB6257namp_ Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable
Thank you for everything you've done keeping CCL going! It seems like it's = been a lot of work, and it's time for a bit of a shift to something new. On= another note, I'm not so sure that I would get rid of the ccl.net domain n= ame too soon. Three-letter domain names are hard to come by these days, and while email lists seem to be goi= ng the way of the dinosaur, maybe developing the domain on a co-hosted, co-= located server into a computational chemistry resource website would be a g= ood thing moving forward for the community. It would also be a shame to let the domain go only to get picke= d up by some scammer trying to sell us something.

From: owner-chemistry+derek= .cashman=3D=3Dgmail.com%%ccl.net <owner-chemistry+derek.cashman=3D=3Dgmai= l.com%%ccl.net> on behalf of Jan Labanowski jasienku|a|gmail.com <owner-chemistry%%ccl.net>
Sent: Tuesday, July 8, 2025 8:42 PM
To: Cashman, Derek <derek.cashman%%gmail.com>
Subject: CCL: The CCL goes away....
 
Dear CCL Subscribers,

CCL Closure

With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no long= er distribute messages to CCL Subscribers. It will happen within a week or = two. This service is just no longer used, that is, it is no longer needed. = Yet, operating this kind of service is a lot of work due to the overwhelming level of spam attempts and also e= xploits to attack the server. On top of this, I am getting senile, and keep= ing up with these developments becomes a burden. So, at some point (a week = or two) the address chemistry-#-ccl.net and correspo= nding Web pages to submit messages to the list, will no longer distribute e= mail to subscribers.

I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.ccl.net/jobs ), = I need to run this site, as it was my commitment. I plan to do some traveli= ng later this summer and fall, and I will probably close the CCL Web site a= t this time. Leaving the server without monitoring is becoming a very risky proposition lately.

I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity.

Thank you for participating... It was a honor!

Jan Labanowski
jasienku-#-gmail.com , ccl-#-ccl.net

--_000_SA3PR13MB6257F85F31E78CE7A31246BCF649ASA3PR13MB6257namp_-- From owner-chemistry@ccl.net Fri Jul 11 04:16:00 2025 From: "Martyn Guest - Staff in University IT / Staff TG y Brifysgol GuestMF,+,cardiff.ac.uk" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55382-250709175737-17145-DIEAS3/mJCd1lF/zKCivbw*server.ccl.net> X-Original-From: Martyn Guest - Staff in University IT / Staff TG y Brifysgol Content-Language: en-GB Content-Type: multipart/alternative; boundary="_000_LO0P265MB584103DE6BA8ADD92BA22BADE049ALO0P265MB5841GBRP_" Date: Wed, 9 Jul 2025 21:57:20 +0000 MIME-Version: 1.0 Sent to CCL by: Martyn Guest - Staff in University IT / Staff TG y Brifysgol [GuestMF++cardiff.ac.uk] --_000_LO0P265MB584103DE6BA8ADD92BA22BADE049ALO0P265MB5841GBRP_ Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi Jan, Many thanks indeed for providing the community with such an invaluable reso= urce for so many years. For me it's been a regular source of information fo= r literally decades, and will be sorely missed! Wishing you the very best moving forward. So with many thanks again, Best wishes, Martyn Prof Martyn F. Guest Advanced Research Computing %x%Cardiff (ARCCA) Cardiff University T17-18 Redwood Building King Edward VII Avenue Cardiff CF10 3NB Wales, UK Phone: +44 (0)29 208 79319 Email: GuestMF%x%Cardiff.ac.uk www.cardiff.ac.uk/arcca Yr Athro Martyn F. Guest Uwch Gyfrifiadura Ymchwil %x%Caerdydd (ARCCA) Prifysgol Caerdydd T17-18 Adeilad Redwood King Edward VII Avenue Caerdydd CF10 3NB Cymru, DU Ff=F4n: +44 (0)29 208 79319 E-bost: GuestMF%x%Caerdydd.ac.uk www.caerdydd.ac.uk/arcca ________________________________ > From: owner-chemistry+guestmf=3D=3Dcardiff.ac.uk%x%ccl.net on behalf of Jan Labanowski jasienku|a|g= mail.com Sent: 09 July 2025 02:42 To: Martyn Guest - Staff in University IT / Staff TG y Brifysgol Subject: CCL: The CCL goes away.... External email to Cardiff University - Take care when replying/opening atta= chments or links. Nid ebost mewnol o Brifysgol Caerdydd yw hwn - Cymerwch ofal wrth ateb/agor= atodiadau neu ddolenni. Dear CCL Subscribers, CCL Closure With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no longer distribute messages to CCL Subscribers. It w= ill happen within a week or two. This service is just no longer used, that = is, it is no longer needed. Yet, operating this kind of service is a lot of= work due to the overwhelming level of spam attempts and also exploits to a= ttack the server. On top of this, I am getting senile, and keeping up with = these developments becomes a burden. So, at some point (a week or two) the = address chemistry-#-ccl.net and corresponding W= eb pages to submit messages to the list, will no longer distribute email to= subscribers. I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.c= cl.net/jobs ), I need to run this site, as it was my commitment. I plan to = do some traveling later this summer and fall, and I will probably close the= CCL Web site at this time. Leaving the server without monitoring is becomi= ng a very risky proposition lately. I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity. Thank you for participating... It was a honor! Jan Labanowski jasienku-#-gmail.com , ccl-#-ccl.net --_000_LO0P265MB584103DE6BA8ADD92BA22BADE049ALO0P265MB5841GBRP_ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Hi Jan,

Many thanks indeed for providing the community with such an invaluable reso= urce for so many years. For me it's been a regular source of information fo= r literally decades, and will be sorely missed!

Wishing you the very best moving forward.

So with many thanks again,

Best wishes,
Martyn 


 =

Prof Martyn F. Gu= est

 =

Advanced Research= Computing

%x%Cardiff (ARCCA)<= /b>

 

Cardiff University

T17-18 Redwood Build= ing

King Edward VII Aven= ue

Cardiff

CF10 3NB

Wales, UK

 

Phone: +44 (0)29 208= 79319

Email: GuestMF%x%Cardiff.ac.uk

www.cardiff.ac.uk/arcca

 =

Yr Athro Martyn F= . Guest

 

Uwch Gyfrifiadura= Ymchwil

%x%Caerdydd (ARCCA)=

 

Prifysgol Caerdydd

T17-18 Adeilad Redwo= od

King Edward VII Aven= ue

Caerdydd

CF10 3NB

Cymru, DU

 

Ff=F4n: +44 (0)29 20= 8 79319

E-bost: GuestMF%x%Caerdydd.ac.uk

www.caerdydd.ac.uk/arcca


From: owner-chemistry+guest= mf=3D=3Dcardiff.ac.uk%x%ccl.net <owner-chemistry+guestmf=3D=3Dcardiff.ac.u= k%x%ccl.net> on behalf of Jan Labanowski jasienku|a|gmail.com <owner-chemistry%x%ccl.net>
Sent: 09 July 2025 02:42
To: Martyn Guest - Staff in University IT / Staff TG y Brifysgol <= ;guestmf%x%cardiff.ac.uk>
Subject: CCL: The CCL goes away....
 
External email to Cardiff University - T= ake care when replying/opening attachments or links.
Nid ebost mewnol o Brifysgol Caerdydd yw= hwn - Cymerwch ofal wrth ateb/agor atodiadau neu ddolenni.


Dear CCL Subscribers,

CCL Closure

With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no long= er distribute messages to CCL Subscribers. It will happen within a week or = two. This service is just no longer used, that is, it is no longer needed. = Yet, operating this kind of service is a lot of work due to the overwhelming level of spam attempts and also e= xploits to attack the server. On top of this, I am getting senile, and keep= ing up with these developments becomes a burden. So, at some point (a week = or two) the address chemistry-#-ccl.net and correspo= nding Web pages to submit messages to the list, will no longer distribute e= mail to subscribers.

I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.ccl.net/jobs ), I need to run this site, as it = was my commitment. I plan to do some traveling later this summer and fall, = and I will probably close the CCL Web site at this time. Leaving the server without monitoring is becoming a ver= y risky proposition lately.

I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity.

Thank you for participating... It was a honor!

Jan Labanowski
jasienku-#-gmail.com , ccl-#-ccl.net

--_000_LO0P265MB584103DE6BA8ADD92BA22BADE049ALO0P265MB5841GBRP_-- From owner-chemistry@ccl.net Fri Jul 11 04:51:00 2025 From: "Alcides Simao alsimao-*-gmail.com" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55383-250710051027-14823-HOJV7llBnpjLB91k3jRRRA : server.ccl.net> X-Original-From: Alcides Simao Content-Type: multipart/alternative; boundary="000000000000fb80db06398f8f43" Date: Thu, 10 Jul 2025 11:10:07 +0200 MIME-Version: 1.0 Sent to CCL by: Alcides Simao [alsimao,gmail.com] --000000000000fb80db06398f8f43 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Dear all, As soon as I read Jan=C2=B4s email, I replied to thanking him for all his dedication and hard work, but also with a suggestion for CCL to continue under a "new generation" label using Google Groups, as I would like his blessing to continue what would be the spiritual successor from where he left off. Essentially, it would remain the same system - a mailing list - and there would be the possibility to upload the legacy CCL emails treasure trove. It would require a small team of volunteers to maintain it. I have been managing the GAMESS mailing list (the independent one) for some years now, so I know that spam can be a pain, but it is doable. So, if Jan gives a thumbs up, it will be set up as fast as possible and hopefully, maybe the last email you=C2=B4ll receive from CCL Mailing list will be the = email telling you where you can find the new one. Let=C2=B4s try and keep the legacy alive, the information available and the discussion ongoing. Cheers, Alcides Yury Minenkov yury.minenkov~!~gmail.com escreveu (quinta, 10/07/2025 =C3=A0(s) 11:00): > > Sent to CCL by: Yury Minenkov [yury.minenkov|-|gmail.com] > Dear Dr. Labanowski, > > It was a pity reading your last email. I would like to sincerely thank > you for opening the CCL mailing and job lists, and for maintaining them. > Personally, for me, it was more than just useful: I found my first job > in the field of Computational Chemistry almost two decades ago using > your CCL job list, and it defined my whole career path. Moreover, I > enjoyed reading numerous scientific discussions at the CCL archive not > linked to any specific software, and I emailed the CCL mailing list a > couple of times myself. Once again, thank you so much, you have done an > amazing job! > > With kind regards, > Yury > > On 7/9/25 04:42, Jan Labanowski jasienku|a|gmail.com wrote: > > Dear CCL Subscribers, > > > > CCL Closure > > > > With some melancholic feelings I need to announce that I will be closin= g > > the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net > > will no longer distribute messages to CCL > > Subscribers. It will happen within a week or two. This service is just > > no longer used, that is, it is no longer needed. Yet, operating this > > kind of service is a lot of work due to the overwhelming level of spam > > attempts and also exploits to attack the server. On top of this, I am > > getting senile, and keeping up with these developments becomes a burden= . > > So, at some point (a week or two) the address chemistry-#-ccl.net > > and corresponding Web pages to submit > > messages to the list, will no longer distribute email to subscribers. > > > > I will try to keep the CCL Web site running for a bit longer, so if you > > need to grab something from there, you still have a month or two. Also, > > since there are some unexpired position openings announcements > > ( https://server.ccl.net/jobs ), I need > to > > run this site, as it was my commitment. I plan to do some traveling > > later this summer and fall, and I will probably close the CCL Web site > > at this time. Leaving the server without monitoring is becoming a very > > risky proposition lately. > > > > I would like to thank all CCL participants, for being with me. Some of > > you were members of CCL Community for a long time. It makes me believe, > > that at some point, it was a useful service, and it helped Computationa= l > > Chemistry to gain more popularity. > > > > Thank you for participating... It was a honor! > > > > Jan Labanowski > > jasienku-#-gmail.com , ccl-#-ccl.net > > > > > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > --000000000000fb80db06398f8f43 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Dear all,=C2=A0

As soon as I read Jan= =C2=B4s email, I replied to thanking him for all his dedication and hard wo= rk, but also with a suggestion for CCL to continue under a "new genera= tion" label using Google Groups, as I would like his=C2=A0blessing to = continue what would be the spiritual successor=C2=A0from where he left off.= Essentially, it would remain the same system - a mailing list - and there = would be the possibility to upload the legacy CCL emails treasure trove. It= would require a small team of volunteers to maintain it. I have been manag= ing the GAMESS=C2=A0mailing list (the independent one) for some years now, = so I know that spam can be a pain, but it is doable. So, if Jan gives a thu= mbs up, it will be set up as fast as possible and hopefully, maybe the last= email you=C2=B4ll receive from CCL Mailing list will be the email telling = you where you can find the new one.

Let=C2=B4s try and keep the lega= cy alive, the information available and the discussion ongoing.
<= br>
Cheers,
Alcides



Yury Minenkov yury.minenkov~!~gmail.com <owner-chemistry,+,ccl.net> escreveu (quinta, 10/07/2025 =C3=A0(s) 11:00):

Sent to CCL by: Yury Minenkov [yury.minenkov|-|gmail.com]
Dear Dr. Labanowski,

It was a pity reading your last email. I would like to sincerely thank
you for opening the CCL mailing and job lists, and for maintaining them. Personally, for me, it was more than just useful: I found my first job
in the field of Computational Chemistry almost two decades ago using
your CCL job list, and it defined my whole career path. Moreover, I
enjoyed reading numerous scientific discussions at the CCL archive not
linked to any specific software, and I emailed the CCL mailing list a
couple of times myself. Once again, thank you so much, you have done an amazing job!

With kind regards,
Yury

On 7/9/25 04:42, Jan Labanowski jasienku|a|gmail.com wrote:
> Dear CCL Subscribers,
>
> CCL Closure
>
> With some melancholic feelings I need to announce that I will be closi= ng
> the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net
> <mailto:chemistry-<= /a>#-ccl.ne= t> will no longer distribute messages to CCL
> Subscribers. It will happen within a week or two. This service is just=
> no longer used, that is, it is no longer needed. Yet, operating this <= br> > kind of service is a lot of work due to the overwhelming level of spam=
> attempts and also exploits to attack the server. On top of this, I am =
> getting senile, and keeping up with these developments becomes a burde= n.
> So, at some point (a week or two) the address chemistry-#-ccl.net
> <mailto:chemistry-<= /a>#-ccl.ne= t> and corresponding Web pages to submit
> messages to the list, will no longer distribute email to subscribers.<= br> >
> I will try to keep the CCL Web site running for a bit longer, so if yo= u
> need to grab something from there, you still have a month or two. Also= ,
> since there are some unexpired position openings announcements
> ( https://server.ccl.net/jobs <https://server.ccl.net/jobs<= /a>> ), I need to
> run this site, as it was my commitment. I plan to do some traveling > later this summer and fall, and I will probably close the CCL Web site=
> at this time. Leaving the server without monitoring is becoming a very=
> risky proposition lately.
>
> I would like to thank all CCL participants, for being with me. Some of=
> you were members of CCL Community for a long time. It makes me believe= ,
> that at some point, it was a useful service, and it helped Computation= al
> Chemistry to gain more popularity.
>
> Thank you for participating... It was a honor!
>
> Jan Labanowski
> jasienku-#-gmail.com <mailto:jasienku-#-gmail.com> , ccl-#-ccl.net
> <mailto:ccl-#-ccl.net> >



-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY,+,ccl.net or use:
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E-mail to administrators: CHEMISTRY-REQUEST,+,ccl.net or use
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/cgi-bin/ccl/s= end_ccl_message
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/chemistry/sub_un= sub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs
Conferences: http://server.ccl.net/chemist= ry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/sear= chccl/index.shtml
=C2=A0 =C2=A0 =C2=A0 http://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/ins= tructions/


--000000000000fb80db06398f8f43-- From owner-chemistry@ccl.net Fri Jul 11 05:27:01 2025 From: "Steve Williams willsd~!~appstate.edu" To: CCL Subject: CCL: [External] CCL: The CCL goes away.... Message-Id: <-55384-250710081437-22640-g2aoWDOdXMN7lH/875c1YA]^[server.ccl.net> X-Original-From: Steve Williams Content-Type: multipart/alternative; boundary="00000000000075886c06399222df" Date: Thu, 10 Jul 2025 08:14:15 -0400 MIME-Version: 1.0 Sent to CCL by: Steve Williams [willsd%x%appstate.edu] --00000000000075886c06399222df Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable I have retired and no longer am involved in computational chemistry....and like MANY, MANY, others here found CCL to be a crucial resource during most of my career, and I still read CCL posts. You have done a wonderful thing Jan and I deeply appreciate it. I wish you a less stressful retirement! I will pass your news on to Holly Hirst who you knew at OSC. Steve Williams On Thu, Jul 10, 2025 at 4:59=E2=80=AFAM Norrby, Per-Ola Per-Ola.Norrby a astrazeneca.com wrote: > Dear Jan, > > Thank you very much for all the work over the years. The list was very > useful to me at the start of my career, and I'm still following it, even = if > my interactions with the list have gone down in latter years, as I've > switched field. > > With best wishes for the future, and happy travel! > > Per-Ola Norrby > ------------------------------ > *From:* owner-chemistry+per-ola.norrby=3D=3Dastrazeneca.com,+,ccl.net > on behalf= of > Jan Labanowski jasienku|a|gmail.com > *Sent:* Wednesday, July 9, 2025 3:42 > *To:* Norrby, Per-Ola > *Subject:* CCL: The CCL goes away.... > > Dear CCL Subscribers, > > CCL Closure > > With some melancholic feelings I need to announce that I will be closing > the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no > longer distribute messages to CCL Subscribers. It will happen within a we= ek > or two. This service is just no longer used, that is, it is no longer > needed. Yet, operating this kind of service is a lot of work due to the > overwhelming level of spam attempts and also exploits to attack the serve= r. > On top of this, I am getting senile, and keeping up with these developmen= ts > becomes a burden. So, at some point (a week or two) the address > chemistry-#-ccl.net and corresponding Web pages to submit messages to the > list, will no longer distribute email to subscribers. > > I will try to keep the CCL Web site running for a bit longer, so if you > need to grab something from there, you still have a month or two. Also, > since there are some unexpired position openings announcements ( > https://server.ccl.net/jobs ), I need to run this site, as it was my > commitment. I plan to do some traveling later this summer and fall, and I > will probably close the CCL Web site at this time. Leaving the server > without monitoring is becoming a very risky proposition lately. > > I would like to thank all CCL participants, for being with me. Some of yo= u > were members of CCL Community for a long time. It makes me believe, that = at > some point, it was a useful service, and it helped Computational Chemistr= y > to gain more popularity. > > Thank you for participating... It was a honor! > > Jan Labanowski > jasienku-#-gmail.com , ccl-#-ccl.net > > ------------------------------ > > *Confidentiality Notice: *This message is private and may contain > confidential and proprietary information. If you have received this messa= ge > in error, please notify us and remove it from your system and note that y= ou > must not copy, distribute or take any action in reliance on it. Any > unauthorized use or disclosure of the contents of this message is not > permitted and may be unlawful. > > --00000000000075886c06399222df Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
I have retired and no longer am involved in computati= onal chemistry....and like MANY, MANY, others here found CCL to be a crucia= l resource during most of my career, and I still read CCL posts. You have d= one a wonderful thing Jan and I deeply appreciate it. I wish you a less str= essful retirement! I will pass your news on to Holly Hirst who you knew at = OSC.
Steve Williams

On Thu, Jul 10, 20= 25 at 4:59=E2=80=AFAM Norrby, Per-Ola Per-Ola.Norrby a astrazeneca.com <owner-chemistry[]ccl.net> wrote:
Dear Jan,

Thank you very much for all the work over the years. The list was very usef= ul to me at the start of my career, and I'm still following it, even if= my interactions with the list have gone down in latter years, as I've = switched field.

With best wishes for the future, and happy travel!

Per-Ola Norrby
From: = owner-chemistry+per-ola.norrby=3D=3Dastrazeneca.com,+,ccl.net <owner-chemistry+per-ola.norrby=3D=3Dastrazeneca.com,+,ccl.net> on behalf of Jan Labanowski jasienku|a|gmail.com &l= t;owner-chemistry,+,ccl.net>
Sent: Wednesday, July 9, 2025 3:42
To: Norrby, Per-Ola <Per-Ola.Norrby,+,astrazeneca.com>
Subject: CCL: The CCL goes away....
=C2=A0
Dear CCL Subscribers,

CCL Closure

With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.ne= t will no longer distribute messages to CCL Subscribers. It will happen= within a week or two. This service is just no longer used, that is, it is = no longer needed. Yet, operating this kind of service is a lot of work due to the overwhelming level of spam attempts and also e= xploits to attack the server. On top of this, I am getting senile, and keep= ing up with these developments becomes a burden. So, at some point (a week = or two) the address chemistry-#-ccl.ne= t and corresponding Web pages to submit messages to the list, will no l= onger distribute email to subscribers.

I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.ccl.net/jobs ), I need to run this site, as it was my co= mmitment. I plan to do some traveling later this summer and fall, and I wil= l probably close the CCL Web site at this time. Leaving the server without = monitoring is becoming a very risky proposition lately.

I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity.

Thank you for participating... It was a honor!

Jan Labanowski
jasienku-#-gmail.= com , ccl-#-ccl.net

Confidentiality Not= ice: This message is private and may contain confidential and proprieta= ry information. If you have received this message in error, please notify u= s and remove it from your system and note that you must not copy, distribut= e or take any action in reliance on it. Any unauthorized use or disclosure of the contents of this message = is not permitted and may be unlawful.

--00000000000075886c06399222df-- From owner-chemistry@ccl.net Fri Jul 11 06:02:01 2025 From: "Gilson, Michael mgilson!^!health.ucsd.edu" To: CCL Subject: CCL: AW: The CCL goes away.... Message-Id: <-55385-250710110045-1600-n27gLqdisGfbGe+aPpAM5Q[*]server.ccl.net> X-Original-From: "Gilson, Michael" Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_EBE017003E4146D29F705800F10BC39Chealthucsdedu_" Date: Thu, 10 Jul 2025 15:00:21 +0000 MIME-Version: 1.0 Sent to CCL by: "Gilson, Michael" [mgilson],[health.ucsd.edu] --_000_EBE017003E4146D29F705800F10BC39Chealthucsdedu_ Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: base64 VGhhdOKAmXMgYSBncmVhdCBpZGVhLg0KDQpBbHNv4oCUIGhlcmXigJlzIHRvIGEgcm91bmQgb2Yg Z3JhdGVmdWwgYXBwbGF1c2UgdG8gSmFuIGZvciBoaXMgbG9uZyBzZXJ2aWNlIHRvIHRoaXMgY29t bXVuaXR5LCBhbmQgZm9yIHRoZSBodW1hbml0eSBhbmQgaHVtb3IgaGUgYnJvdWdodCB0byBtYW5h Z2luZyB0aGUgQ0NMIQ0KDQpCZXN0IHJlZ2FyZHMsDQpNaWtlDQoNCk9uIEp1bCA5LCAyMDI1LCBh dCA5OjI24oCvQU0sIHRpbV9tYWlsIC4uIHVrci5uZXQgPG93bmVyLWNoZW1pc3RyeUBjY2wubmV0 PiB3cm90ZToNCg0KRGVhciBjb2xsZWFndWVzLA0KDQpJJ2QgbGlrZSB0byAxMDAwJSBzdXBwb3J0 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Message-Id: <-55386-250710172857-22544-Dhs5HdBwddkRQ16fYLk9OQ]^[server.ccl.net> X-Original-From: Arthur Zalevsky Content-Type: multipart/alternative; boundary="00000000000029dc05063999e1b3" Date: Thu, 10 Jul 2025 14:28:38 -0700 MIME-Version: 1.0 Sent to CCL by: Arthur Zalevsky [aozalevsky---gmail.com] --00000000000029dc05063999e1b3 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Dear Jan, Thank you for the hard work of maintaining the resource and community around it. The CCL is an excellent example of how researchers can talk, share ideas, and help each other, completely forgetting about any geographical borders. I hope the CCL archive will be preserved, as it reflects the development of multiple computational fields and is a gold mine for historians of science. Regards, Arthur -- Arthur Zalevsky, Ph.D. Postdoctoral researcher, Sali lab University of California, San Francisco UCSF MC 2552 Byers Hall Room 501 600 16th Street San Francisco, CA 94158, USA Email aozalevksy- -gmail.com Email arthur- -salilab.org Web https://salilab.org On Tue, Jul 8, 2025 at 8:11=E2=80=AFPM Jan Labanowski jasienku|a|gmail.com = < owner-chemistry- -ccl.net> wrote: > Dear CCL Subscribers, > > CCL Closure > > With some melancholic feelings I need to announce that I will be closing > the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no > longer distribute messages to CCL Subscribers. It will happen within a we= ek > or two. This service is just no longer used, that is, it is no longer > needed. Yet, operating this kind of service is a lot of work due to the > overwhelming level of spam attempts and also exploits to attack the serve= r. > On top of this, I am getting senile, and keeping up with these developmen= ts > becomes a burden. So, at some point (a week or two) the address > chemistry-#-ccl.net and corresponding Web pages to submit messages to the > list, will no longer distribute email to subscribers. > > I will try to keep the CCL Web site running for a bit longer, so if you > need to grab something from there, you still have a month or two. Also, > since there are some unexpired position openings announcements ( > https://server.ccl.net/jobs ), I need to run this site, as it was my > commitment. I plan to do some traveling later this summer and fall, and I > will probably close the CCL Web site at this time. Leaving the server > without monitoring is becoming a very risky proposition lately. > > I would like to thank all CCL participants, for being with me. Some of yo= u > were members of CCL Community for a long time. It makes me believe, that = at > some point, it was a useful service, and it helped Computational Chemistr= y > to gain more popularity. > > Thank you for participating... It was a honor! > > Jan Labanowski > jasienku-#-gmail.com , ccl-#-ccl.net > > --00000000000029dc05063999e1b3 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Dear Jan,=C2=A0

Thank you for the = hard work of maintaining the resource and community around it. The CCL is a= n excellent example of how researchers can talk, share ideas, and help each= other, completely forgetting about any geographical borders. I hope the CC= L archive will be preserved, as it reflects the development of multiple com= putational=C2=A0fields and is a gold mine for historians of science.=C2=A0<= br>
Regards,
Arthur

--
Arthur Zalevsky, Ph.D.
Postdoctoral researcher, = Sali lab
University of California, San Francisco
UCSF MC 2552
Byer= s Hall Room 501
600 16th Street
San Francisco, CA 94158, USA
Email= =C2=A0aozalevksy- -= gmail.com
Email=C2=A0arthur- -salilab.org
Web=C2=A0https://salilab.org

On Tue, Jul 8, 2025 at 8:11=E2=80=AFPM Jan Labanowski jasienku|a|gmail.com <owner-chemistry- -ccl.net> wrote:
Dear CCL Subscribers,
=
CCL Closure

With some melancholic feelings I need to announce th= at I will be closing the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net w= ill no longer distribute messages to CCL Subscribers. It will happen within= a week or two. This service is just no longer used, that is, it is no long= er needed. Yet, operating this kind of service is a lot of work due to the = overwhelming level of spam attempts and also exploits to attack the server.= On top of this, I am getting senile, and keeping up with these development= s becomes a burden. So, at some point (a week or two) the address chemistry-#-ccl.net a= nd corresponding Web pages to submit messages to the list, will no longer d= istribute email to subscribers.

I will try to keep the CCL Web site = running for a bit longer, so if you need to grab something from there, you = still have a month or two. Also, since there are some unexpired position op= enings announcements ( https://server.ccl.net/jobs ), I need to run this site, as it was= my commitment. I plan to do some traveling later this summer and fall, and= I will probably close the CCL Web site at this time. Leaving the server wi= thout monitoring is becoming a very risky proposition lately.

I woul= d like to thank all CCL participants, for being with me. Some of you were m= embers of CCL Community for a long time. It makes me believe, that at some = point, it was a useful service, and it helped Computational Chemistry to ga= in more popularity.

Thank you for participating... It was a honor!<= br>
Jan Labanowski
jasienku-#-gmail.com , ccl-#-ccl.net


--00000000000029dc05063999e1b3-- From owner-chemistry@ccl.net Fri Jul 11 07:10:01 2025 From: "Egon Willighagen egon.willighagen-*-gmail.com" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55387-250711005805-735-icWDGbaSPfOYxHfnQC5evA%a%server.ccl.net> X-Original-From: Egon Willighagen Content-Type: multipart/alternative; boundary="00000000000055c9eb0639a027c5" Date: Fri, 11 Jul 2025 06:57:36 +0200 MIME-Version: 1.0 Sent to CCL by: Egon Willighagen [egon.willighagen*gmail.com] --00000000000055c9eb0639a027c5 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable Dear Jan, In 2018 Fr=C3=A9d=C3=A9ric Wieber et al. wrote that "The CCL is now 27 year= s old and still here now that the hype has died down=E2=80=A6" [0]. I guess with the = new AI hype, computational chemistry is more alive than ever and perhaps easier than ever. Maybe it is just that last that is behind the decline in the number of messages. For me, the CCL helped me figure out notional coordinates and my small website contribution (a fix in some of the math on the website) as a very young researcher was one of my first scientific contributions. CCL has always been welcoming, informative, and a great example of what a research community can be like. Thank you so very much! And like others, I hope we can ensure the full history is archived, as it should be. Let's organize and get that done. Egon 0.https://doi.org/10.1186/s13321-018-0322-7 On Wed, 9 Jul 2025 at 04:02, Jan Labanowski jasienku|a|gmail.com < owner-chemistry:ccl.net> wrote: > Dear CCL Subscribers, > > CCL Closure > > With some melancholic feelings I need to announce that I will be closing > the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no > longer distribute messages to CCL Subscribers. It will happen within a we= ek > or two. This service is just no longer used, that is, it is no longer > needed. Yet, operating this kind of service is a lot of work due to the > overwhelming level of spam attempts and also exploits to attack the serve= r. > On top of this, I am getting senile, and keeping up with these developmen= ts > becomes a burden. So, at some point (a week or two) the address > chemistry-#-ccl.net and corresponding Web pages to submit messages to the > list, will no longer distribute email to subscribers. > > I will try to keep the CCL Web site running for a bit longer, so if you > need to grab something from there, you still have a month or two. Also, > since there are some unexpired position openings announcements ( > https://server.ccl.net/jobs ), I need to run this site, as it was my > commitment. I plan to do some traveling later this summer and fall, and I > will probably close the CCL Web site at this time. Leaving the server > without monitoring is becoming a very risky proposition lately. > > I would like to thank all CCL participants, for being with me. Some of yo= u > were members of CCL Community for a long time. It makes me believe, that = at > some point, it was a useful service, and it helped Computational Chemistr= y > to gain more popularity. > > Thank you for participating... It was a honor! > > Jan Labanowski > jasienku-#-gmail.com , ccl-#-ccl.net > > --=20 -- E.L. Willighagen Department of Translational Genomics NUTRIM Institute of Nutrition and Translational Research in Metabolism Maastricht University Blog: https://chem-bla-ics.linkedchemistry.info/ Mastodon: https://social.edu.nl/:egonw PubList: https://orcid.org/0000-0001-7542-0286 --00000000000055c9eb0639a027c5 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable

Dear Jan,

In 2018=C2=A0F= r=C3=A9d=C3=A9ric Wieber et al. wrote that "The CCL is now 27 years ol= d and still here now that the hype has died down=E2=80=A6" [0]. I gues= s with the new AI hype, computational chemistry is more alive than ever and= perhaps easier than ever. Maybe it is just that last that is behind the de= cline in the number of messages.

For me, the CCL h= elped me figure out notional coordinates and my small website contribution = (a fix in some of the math on the website) as a very young researcher was o= ne of my first scientific contributions. CCL has always been welcoming, inf= ormative, and a great example of what a research community can be like. Tha= nk you so very much!

And like others, I hope we ca= n ensure the full history is archived, as it should be. Let's organize = and get that done.

Egon



On Wed,= 9 Jul 2025 at 04:02, Jan Labanowski jasienku|a|gmail.com <owner-chemis= try:ccl.net> wrote:
Dear CCL Subscribers,

CCL Closure
With some melancholic feelings I need to announce that I will be closing t= he CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no longer distribute= messages to CCL Subscribers. It will happen within a week or two. This ser= vice is just no longer used, that is, it is no longer needed. Yet, operatin= g this kind of service is a lot of work due to the overwhelming level of sp= am attempts and also exploits to attack the server. On top of this, I am ge= tting senile, and keeping up with these developments becomes a burden. So, = at some point (a week or two) the address chemistry-#-ccl.net and corresponding Web pages= to submit messages to the list, will no longer distribute email to subscri= bers.

I will try to keep the CCL Web site running for a bit longer, = so if you need to grab something from there, you still have a month or two.= Also, since there are some unexpired position openings announcements ( https://server.ccl.n= et/jobs ), I need to run this site, as it was my commitment. I plan to = do some traveling later this summer and fall, and I will probably close the= CCL Web site at this time. Leaving the server without monitoring is becomi= ng a very risky proposition lately.

I would like to thank all CCL pa= rticipants, for being with me. Some of you were members of CCL Community fo= r a long time. It makes me believe, that at some point, it was a useful ser= vice, and it helped Computational Chemistry to gain more popularity.
Thank you for participating... It was a honor!

Jan Labanowski
<= a href=3D"mailto:jasienku-#-gmail.com" target=3D"_blank">jasienku-#-gmail.c= om , ccl-#-ccl.net



--
--00000000000055c9eb0639a027c5-- From owner-chemistry@ccl.net Fri Jul 11 10:40:01 2025 From: "Carles Bo cbo(a)iciq.cat" To: CCL Subject: CCL: The CCL goes away.... 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From owner-chemistry@ccl.net Fri Jul 11 11:14:01 2025 From: "Harald Lanig harald.lanig(_)fau.de" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55389-250711040912-13449-QjeuxIzK53RVUBfcDzE5iA[-]server.ccl.net> X-Original-From: Harald Lanig Content-Transfer-Encoding: 8bit Content-Type: text/html; charset=UTF-8 Date: Fri, 11 Jul 2025 10:08:56 +0200 MIME-Version: 1.0 Sent to CCL by: Harald Lanig [harald.lanig%x%fau.de] I subscribed the list 1994 (maybe earlier) during my PhD, so the contributions helped me doing my scientific work for more than 30 years.
Thanks a lot to Jan for your effort keeping such a great thing up and running!

All the best for the future!
Harald Lanig, Erlangen, Germany

Am 09.07.2025 um 03:42 schrieb Jan Labanowski jasienku|a|gmail.com:
Dear CCL Subscribers,

CCL Closure

With some melancholic feelings I need to announce that I will be closing the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no longer distribute messages to CCL Subscribers. It will happen within a week or two. This service is just no longer used, that is, it is no longer needed. Yet, operating this kind of service is a lot of work due to the overwhelming level of spam attempts and also exploits to attack the server. On top of this, I am getting senile, and keeping up with these developments becomes a burden. So, at some point (a week or two) the address chemistry-#-ccl.net and corresponding Web pages to submit messages to the list, will no longer distribute email to subscribers.

I will try to keep the CCL Web site running for a bit longer, so if you need to grab something from there, you still have a month or two. Also, since there are some unexpired position openings announcements ( https://server.ccl.net/jobs ), I need to run this site, as it was my commitment. I plan to do some traveling later this summer and fall, and I will probably close the CCL Web site at this time. Leaving the server without monitoring is becoming a very risky proposition lately.

I would like to thank all CCL participants, for being with me. Some of you were members of CCL Community for a long time. It makes me believe, that at some point, it was a useful service, and it helped Computational Chemistry to gain more popularity.

Thank you for participating... It was a honor!

Jan Labanowski
jasienku-#-gmail.com , ccl-#-ccl.net


-- 
PD Dr. rer. nat. Harald Lanig (Dipl.-Chem.)
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
Zentrum für Nationales Hochleistungsrechnen Erlangen (NHR::FAU)
NHR::FAU Geschäftsstelle am Regionalen Rechenzentrum Erlangen (RRZE)
Martensstrasse 1, 91058 Erlangen, Germany
harald.lanig::fau.de - hpc.fau.de
From owner-chemistry@ccl.net Fri Jul 11 12:30:01 2025 From: "Abdelkader Majouri majouri.abdelkader1993 _ gmail.com" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55390-250711082633-23033-tJE+D7sLRC59TAO52AR/5A%%server.ccl.net> X-Original-From: Abdelkader Majouri Content-Type: multipart/alternative; boundary="000000000000d0b4460639a66a03" Date: Fri, 11 Jul 2025 13:26:08 +0100 MIME-Version: 1.0 Sent to CCL by: Abdelkader Majouri [majouri.abdelkader1993*o*gmail.com] --000000000000d0b4460639a66a03 Content-Type: text/plain; charset="UTF-8" Content-Transfer-Encoding: quoted-printable As things are coming to a close, I couldn=E2=80=99t let this moment pass wi= thout expressing my deep gratitude. I=E2=80=99ve been following and engaging with the CCL community for a long = time, and it has truly been a meaningful part of my journey. The discussions, shared knowledge, and the supportive atmosphere made this space unique =E2= =80=94 and honestly, I=E2=80=99ve grown quite addicted to it in the best way. Thank you for all the value, insight, and connection you=E2=80=99ve brought= to so many of us. Though the community may be closing, the impact it has had will definitely stay with me. Wishing everyone the very best in what=E2=80=99s ahead. Cheers Abdelkader =E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2= =80=94=E2=80=94- =E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2= =80=94=E2=80=94- Ph. D student at National Higher School of Engineers of Tunis Laboratory of Nanomaterials Nanotechnology and Energy - Faculty of Sciences of Tunis - University of Tunis El Manar, Tunisia E-mail: majouri.abdelkader1993\a/gmail.com Phone number: +216 99 55 45 88 On Fri, Jul 11, 2025 at 13:11 Martyn Guest - Staff in University IT / Staff TG y Brifysgol GuestMF,+,cardiff.ac.uk wrote: > Hi Jan, > > Many thanks indeed for providing the community with such an invaluable > resource for so many years. For me it's been a regular source of > information for literally decades, and will be sorely missed! > > Wishing you the very best moving forward. > > So with many thanks again, > > Best wishes, > Martyn > > > > > *Prof Martyn F. Guest* > > > > *Advanced Research Computing* > > *(~)Cardiff (ARCCA)* > > > > Cardiff University > > T17-18 Redwood Building > > King Edward VII Avenue > > Cardiff > > CF10 3NB > > Wales, UK > > > > Phone: +44 (0)29 208 79319 > > Email: GuestMF(~)Cardiff.ac.uk > > www.cardiff.ac.uk/arcca > > > > *Yr Athro Martyn F. Guest* > > > > *Uwch Gyfrifiadura Ymchwil * > > *(~)Caerdydd (ARCCA)* > > > > Prifysgol Caerdydd > > T17-18 Adeilad Redwood > > King Edward VII Avenue > > Caerdydd > > CF10 3NB > > Cymru, DU > > > > Ff=C3=B4n: +44 (0)29 208 79319 > > E-bost: GuestMF(~)Caerdydd.ac.uk > > www.caerdydd.ac.uk/arcca > > > ------------------------------ > *From:* owner-chemistry+guestmf=3D=3Dcardiff.ac.uk(~)ccl.net > on behalf of Jan > Labanowski jasienku|a|gmail.com > *Sent:* 09 July 2025 02:42 > *To:* Martyn Guest - Staff in University IT / Staff TG y Brifysgol > > *Subject:* CCL: The CCL goes away.... > > *External email to Cardiff University - *Take care when replying/opening > attachments or links. > *Nid ebost mewnol o Brifysgol Caerdydd yw hwn - * Cymerwch ofal wrth > ateb/agor atodiadau neu ddolenni. > > > Dear CCL Subscribers, > > CCL Closure > > With some melancholic feelings I need to announce that I will be closing > the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no > longer distribute messages to CCL Subscribers. It will happen within a we= ek > or two. This service is just no longer used, that is, it is no longer > needed. Yet, operating this kind of service is a lot of work due to the > overwhelming level of spam attempts and also exploits to attack the serve= r. > On top of this, I am getting senile, and keeping up with these developmen= ts > becomes a burden. So, at some point (a week or two) the address > chemistry-#-ccl.net and corresponding Web pages to submit messages to the > list, will no longer distribute email to subscribers. > > I will try to keep the CCL Web site running for a bit longer, so if you > need to grab something from there, you still have a month or two. Also, > since there are some unexpired position openings announcements ( > https://server.ccl.net/jobs ), I need to run this site, as it was my > commitment. I plan to do some traveling later this summer and fall, and I > will probably close the CCL Web site at this time. Leaving the server > without monitoring is becoming a very risky proposition lately. > > I would like to thank all CCL participants, for being with me. Some of yo= u > were members of CCL Community for a long time. It makes me believe, that = at > some point, it was a useful service, and it helped Computational Chemistr= y > to gain more popularity. > > Thank you for participating... It was a honor! > > Jan Labanowski > jasienku-#-gmail.com , ccl-#-ccl.net > > --000000000000d0b4460639a66a03 Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable

As things are coming to a close, I couldn=E2=80=99t let this moment pass= without expressing my deep gratitude.


I=E2=80=99ve been following and engaging with the CCL community for a lo= ng time, and it has truly been a meaningful part of my journey. The discuss= ions, shared knowledge, and the supportive atmosphere made this space uniqu= e =E2=80=94 and honestly, I=E2=80=99ve grown quite addicted to it in the be= st way.


Thank you for all the value, insight, and connection you=E2=80=99ve brou= ght to so many of us. Though the community may be closing, the impact it ha= s had will definitely stay with me.


Wishing everyone the very best in what=E2=80=99s ahead.


Cheers

Abdelkader

= =E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2= =80=94=E2=80=94-
=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94=E2=80=94= =E2=80=94=E2=80=94=E2=80=94=E2=80=94-
Ph. D student at National=C2=A0Hig= her School of Engineers of Tunis
Laboratory of Nanomaterials Nanotechnol= ogy and Energy - Faculty of Sciences of Tunis - University of Tunis El Mana= r, Tunisia
E-mail:=C2=A0majouri.abdelkader1993\a/gmail.com
Phone number: +216 99 55 45 88<= br>


On Fri, Jul 11, 20= 25 at 13:11 Martyn Guest - Staff in University IT / Staff TG y Brifysgol Gu= estMF,+,cardiff.ac.uk <owner-chemistry\a/ccl.net> wrote:
Hi Jan,

Many thanks indeed for providing the community with such an invaluable reso= urce for so many years. For me it's been a regular source of informatio= n for literally decades, and will be sorely missed!

Wishing you the very best moving forward.

So with many thanks again,

Best wishes,
Martyn=C2=A0


= =C2=A0

Pr= of Martyn F. Guest

= =C2=A0

Ad= vanced Research Computing

(~= )Cardiff (ARCCA)

=C2=A0

Cardiff University

T17-18 Redwood Building

King Edward VII Avenue

Cardiff

CF10 3NB

Wales, UK

=C2=A0

Phone: +44 (0)29 208 79319

Email: GuestMF(~)Cardiff.ac.uk

www.cardiff.ac.uk/arcca

= =C2=A0

Yr= Athro Martyn F. Guest

=C2=A0

Uw= ch Gyfrifiadura Ymchwil

(~= )Caerdydd (ARCCA)

=C2=A0

Prifysgol Caerdydd

T17-18 Adeilad Redwood

King Edward VII Avenue

Caerdydd

CF10 3NB

Cymru, DU

=C2=A0

Ff=C3=B4n: +44 (0)29 208 79319

E-bost: GuestMF(~)Caerdydd.ac.uk

www.caerdydd.ac.uk/arcca


From: owne= r-chemistry+guestmf=3D=3Dcardiff.ac.uk(~)cc= l.net <owner-chemistry+guestmf=3D=3Dcardiff.ac.uk(~)ccl.net> on behalf of Jan Labanowski jasienku|a|gmail.com <owner-chemistry(~)ccl.net>
Sent: 09 July 2025 02:42 To: Martyn Guest - Staff in= University IT / Staff TG y Brifysgol <guestmf(~)cardif= f.ac.uk>
Subject: CCL: The CCL goes = away....
=C2=A0
External email to Cardiff = University - Take care when replying/opening attachments or links.
Nid ebost mewnol o Bri= fysgol Caerdydd yw hwn - Cymerwch ofal wrth ateb/agor atodiadau neu ddolenni.


Dear CCL Subscribers,

CCL Closure

With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.ne= t will no longer distribute messages to CCL Subscribers. It will happen= within a week or two. This service is just no longer used, that is, it is = no longer needed. Yet, operating this kind of service is a lot of work due to the overwhelming level of spam attempts and also e= xploits to attack the server. On top of this, I am getting senile, and keep= ing up with these developments becomes a burden. So, at some point (a week = or two) the address chemistry-#-ccl.ne= t and corresponding Web pages to submit messages to the list, will no l= onger distribute email to subscribers.

I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.cc= l.net/jobs ), I need to run this site, as it was my commitment. I plan = to do some traveling later this summer and fall, and I will probably close = the CCL Web site at this time. Leaving the server without monitoring is becoming a ver= y risky proposition lately.

I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity.

Thank you for participating... It was a honor!

Jan Labanowski
jasienku-#-gmail.= com , ccl-#-ccl.net

--000000000000d0b4460639a66a03-- From owner-chemistry@ccl.net Fri Jul 11 16:09:00 2025 From: "mikka.qc mikka.qc%x%proton.me" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55391-250711160710-7604-qwC6cT1GXHL44L9zY69Sig_-_server.ccl.net> X-Original-From: "mikka.qc" Content-Type: multipart/alternative; boundary="b1=_QdLtBL8CDS8DjJGK3qmDuYWRx91hg9VNsDRhcrVvbY" Date: Fri, 11 Jul 2025 20:06:53 +0000 MIME-Version: 1.0 Sent to CCL by: "mikka.qc" [mikka.qc[]proton.me] --b1=_QdLtBL8CDS8DjJGK3qmDuYWRx91hg9VNsDRhcrVvbY Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: base64 RGVhciBjb2xsZWFndWVzLAoKRmlyc3QsIEknZCBhbHNvIGxpa2UgdG8gc2luY2VyZWx5IHRoYW5r IEphbiBmb3IgYWxsIGhlIGRpZCBmb3IgdGhlIFNjaWVuY2UhCgpCdXQgYmVzaWRlcywgbGV0IG1l IGFsc28gYXNrIEx1ZHdpZzogd2h5IGhhcyBoZSBiZWVuIGZvbGxvd2luZyB0aGUgQ0NMIHVudGls IHRoaXMgbW9tZW50LCBpbiBjYXNlIGNvbnNpZGVyaW5nICdydXNzb3Bob2JpYScgYSBub24tZmlj dGlvbm91cyBjb25jZXB0PwoKVG8gYmUgcHJlY2lzZTogdGhlIHN1ZmZpeCAiLXBob2JlIiBvcmln aW5hdGVzIGZyb20gdGhlIEdyZWVrIHdvcmQgIs+Gz4zOss6/z4IiIChwaMOzYm9zKSwgbWVhbmlu ZyBmZWFyIG9yIG1vcmJpZCBmZWFyLiBCeSBhbmFsb2d5LCAiUnVzc29waG9iZSIgc2hvdWxkIGxv 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Message-Id: <-55392-250710141115-12487-RZTwOaFp2QT2RjyVCPZlnw*server.ccl.net> X-Original-From: Uko Maran Content-Disposition: inline Content-Type: text/plain; charset=us-ascii Date: Thu, 10 Jul 2025 21:11:01 +0300 MIME-Version: 1.0 Sent to CCL by: Uko Maran [uko^chem.ut.ee] Dear Jan, Thank you very much, for your years of dedication! It has been my pleasure to be with you for 29.5 years. Uko Maran. University of Tartu, Estonia (https://moltech.ut.ee/en) On Tue, Jul 08, 2025 at 09:42:52PM -0400, Jan Labanowski jasienku|a|gmail.com wrote: > Dear CCL Subscribers, > > CCL Closure > > With some melancholic feelings I need to announce that I will be closing > the CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no > longer distribute messages to CCL Subscribers. It will happen within a week > or two. This service is just no longer used, that is, it is no longer > needed. Yet, operating this kind of service is a lot of work due to the > overwhelming level of spam attempts and also exploits to attack the server. > On top of this, I am getting senile, and keeping up with these developments > becomes a burden. So, at some point (a week or two) the address > chemistry-#-ccl.net and corresponding Web pages to submit messages to the > list, will no longer distribute email to subscribers. > > I will try to keep the CCL Web site running for a bit longer, so if you > need to grab something from there, you still have a month or two. Also, > since there are some unexpired position openings announcements ( > https://server.ccl.net/jobs ), I need to run this site, as it was my > commitment. I plan to do some traveling later this summer and fall, and I > will probably close the CCL Web site at this time. Leaving the server > without monitoring is becoming a very risky proposition lately. > > I would like to thank all CCL participants, for being with me. Some of you > were members of CCL Community for a long time. It makes me believe, that at > some point, it was a useful service, and it helped Computational Chemistry > to gain more popularity. > > Thank you for participating... It was a honor! > > Jan Labanowski > jasienku-#-gmail.com , ccl-#-ccl.net > From owner-chemistry@ccl.net Fri Jul 11 17:19:01 2025 From: "Alain Borel alain.borel..epfl.ch" To: CCL Subject: CCL: Preservation of the CCL archive Message-Id: <-55393-250711035722-888-R6ZlmkVJ/ufpfsUiu+Xppg]_[server.ccl.net> X-Original-From: Alain Borel Content-Language: fr, en-US Content-Type: multipart/alternative; boundary="------------91dDP0WESrruB8rlNNsQW1Oj" Date: Fri, 11 Jul 2025 09:57:07 +0200 MIME-Version: 1.0 Sent to CCL by: Alain Borel [alain.borel ~~ epfl.ch] --------------91dDP0WESrruB8rlNNsQW1Oj Content-Type: text/plain; charset=UTF-8; format=flowed Content-Transfer-Encoding: 8bit On 09.07.2025 20:15, Brian Skinn brian.skinn[-]gmail.com wrote: > However, my scraping code includes logic to de-obfuscate email > addresses, for the purpose of accurately associating different > messages sent from the same email account. Given that the database > contains hundreds (at least) of such de-obfuscated email addresses, I > suspect there are privacy considerations to any publication effort. > The obfuscated email addresses are arguably already public > information, since they are publicly posted and easy for a human to > decode. But, the point of the obfuscation is making them difficult to > exploit at-scale. A database with *de-obfuscated* email addresses > would be much easier to exploit in an automated way, and thus (I > expect) has more significant privacy implications. > > I have neither the expertise to correctly handle release of this, if > special handling is required, nor the spare time or resources to > figure out the correct approach. But, I am interested in working with > others to make it happen. > > Anyone interested, please let me know. > Thanks for the initiative! Former computational chemist turned librarian & research data management specialist here - I'd be happy to help. I would need to take a closer look at the obfuscated addresses to figure out exactly what could/should be done, but it doesn't feel impossible at all. ... and thanks to the list admins who managed it during all these years, of course :-) Best regards, Alain Borel Research data management specialist Bibliothèque de l’EPFL Rolex Learning Center --------------91dDP0WESrruB8rlNNsQW1Oj Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: 8bit
On 09.07.2025 20:15, Brian Skinn brian.skinn[-]gmail.com wrote:
However, my scraping code includes logic to de-obfuscate email addresses, for the purpose of accurately associating different messages sent from the same email account. Given that the database contains hundreds (at least) of such de-obfuscated email addresses, I suspect there are privacy considerations to any publication effort. The obfuscated email addresses are arguably already public information, since they are publicly posted and easy for a human to decode. But, the point of the obfuscation is making them difficult to exploit at-scale. A database with *de-obfuscated* email addresses would be much easier to exploit in an automated way, and thus (I expect) has more significant privacy implications.

I have neither the expertise to correctly handle release of this, if special handling is required, nor the spare time or resources to figure out the correct approach. But, I am interested in working with others to make it happen.

Anyone interested, please let me know.

Thanks for the initiative!

Former computational chemist turned librarian & research data management specialist here - I'd be happy to help.

I would need to take a closer look at the obfuscated addresses to figure out exactly what could/should be done, but it doesn't feel impossible at all.

... and thanks to the list admins who managed it during all these years, of course :-)


Best regards,
Alain Borel
Research data management specialist
Bibliothèque de l’EPFL
Rolex Learning Center
--------------91dDP0WESrruB8rlNNsQW1Oj-- From owner-chemistry@ccl.net Fri Jul 11 17:54:00 2025 From: "Tobias Kraemer KRAEMERT * tcd.ie" To: CCL Subject: CCL: The CCL goes away.... Message-Id: <-55394-250711044130-7806-ZWjn3nWCETWbgD3NUZv58w : server.ccl.net> X-Original-From: Tobias Kraemer Content-Language: en-GB Content-Type: multipart/alternative; boundary="_000_GV1PR02MB8515361914F5C25CF7E49915B84BAGV1PR02MB8515eurp_" Date: Fri, 11 Jul 2025 08:41:09 +0000 MIME-Version: 1.0 Sent to CCL by: Tobias Kraemer [KRAEMERT-*-tcd.ie] --_000_GV1PR02MB8515361914F5C25CF7E49915B84BAGV1PR02MB8515eurp_ Content-Type: text/plain; charset="Windows-1252" Content-Transfer-Encoding: quoted-printable Dear Jan, Like many others have commented before me, the CCL has been an immensely va= luable resource for me since venturing into the field of Comp Chem., and I = likely signed up to it first time in 2008 or so (and have since resigned se= veral times when moving institutions). I remember many interesting discussi= ons here, asked many questions myself and hopefully answered some too. Thank you for maintaining this space for the community. Very sad for this e= ra to end. Tobias =96=96=96=96=96=96=96=96=96=96=96=96 Dr Tobias Kr=E4mer, Dipl.-Chem., DPhil (Oxon.), MRSC Schuler Assistant Professor in Computational Chemistry and Artificial Intel= ligence School of Chemistry, Trinity College Dublin, the University of Dublin, Dubl= in 2, Ireland. +353 1896 8485 kraemert. : .tcd.ie www.tcd.ie =96=96=96=96=96=96=96=96=96=96=96=96 Ainm, R=F3l acad=FAil / riarach=E1in, Rann=F3g acad=FAil / riarach=E1in Col=E1iste na Tr=EDon=F3ide, Baile =C1tha Cliath, Ollscoil =C1tha Cliath, B= aile =C1tha Cliath 2, =C9ire. > From: owner-chemistry+kraemert=3D=3Dtcd.ie. : .ccl.net on behalf of Norrby, Per-Ola Per-Ola.Norrby a astraz= eneca.com Date: Thursday, 10 July 2025 at 09:55 To: Tobias Kraemer Subject: CCL: The CCL goes away.... [External Email] This email originated outside of Trinity College Dublin. D= o not click links or open attachments unless you recognise the sender and k= now the content is safe. Dear Jan, Thank you very much for all the work over the years. The list was very usef= ul to me at the start of my career, and I'm still following it, even if my = interactions with the list have gone down in latter years, as I've switched= field. With best wishes for the future, and happy travel! Per-Ola Norrby ________________________________ > From: owner-chemistry+per-ola.norrby=3D=3Dastrazeneca.com,+,ccl.net on behalf of Jan L= abanowski jasienku|a|gmail.com Sent: Wednesday, July 9, 2025 3:42 To: Norrby, Per-Ola Subject: CCL: The CCL goes away.... Dear CCL Subscribers, CCL Closure With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no longer distribute messages to CCL Subscribers. It w= ill happen within a week or two. This service is just no longer used, that = is, it is no longer needed. Yet, operating this kind of service is a lot of= work due to the overwhelming level of spam attempts and also exploits to a= ttack the server. On top of this, I am getting senile, and keeping up with = these developments becomes a burden. So, at some point (a week or two) the = address chemistry-#-ccl.net and corresponding W= eb pages to submit messages to the list, will no longer distribute email to= subscribers. I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.c= cl.net/jobs ), I need to run this site, as it was my commitment. I plan to = do some traveling later this summer and fall, and I will probably close the= CCL Web site at this time. Leaving the server without monitoring is becomi= ng a very risky proposition lately. I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity. Thank you for participating... It was a honor! Jan Labanowski jasienku-#-gmail.com , ccl-#-ccl.net ________________________________ Confidentiality Notice: This message is private and may contain confidentia= l and proprietary information. If you have received this message in error, = please notify us and remove it from your system and note that you must not = copy, distribute or take any action in reliance on it. Any unauthorized use= or disclosure of the contents of this message is not permitted and may be = unlawful. --_000_GV1PR02MB8515361914F5C25CF7E49915B84BAGV1PR02MB8515eurp_ Content-Type: text/html; charset="Windows-1252" Content-Transfer-Encoding: quoted-printable

Dear Jan,

 

Like many others have commented before me, the CCL has been an imme= nsely valuable resource for me since venturing into the field of Comp Chem.= , and I likely signed up to it first time in 2008 or so (and have since resigned several times when moving inst= itutions). I remember many interesting discussions here, asked many questio= ns myself and hopefully answered some too.

 

Thank you for maintaining this space for the community. Very sad fo= r this era to end.

 

Tobias

 

 

 

=96=96=96=96=96=96=96=96=96=96=96=96
Dr Tobias K= r=E4mer, Dipl.-Chem., DPhil (Oxon.), MRSC

Schuler Assistant Professor in Computational Chemistry and Artificial = Intelligence


School of C= hemistry, Trinity College Dublin, the University of Dublin, Dublin 2, Ireland.<= span style=3D"font-size:11.0pt;font-family:"Calibri",sans-serif;c= olor:#222222;mso-fareast-language:EN-US">
+353 1896 8485  kraemert. : .tcd.ie   www.tcd.ie
=96=96=96= =96=96=96=96=96=96=96=96=96
Ainm, R=F3l acad=FAil / riarach=E1in, Rann= =F3g acad=FAil / riarach=E1in

Col=E1iste= na Tr=EDonide, Baile =C1tha = Cliath, Ollscoil =C1tha Cliath, Baile =C1tha Cliath 2, =C9ire.

<= o:p> 

 

 

 

From: owner-chemistry+kra= emert=3D=3Dtcd.ie. : .ccl.net <owner-chemistry+kraemert=3D=3Dtcd.ie. : .ccl.net&= gt; on behalf of Norrby, Per-Ola Per-Ola.Norrby a astrazeneca.com <owner= -chemistry. : .ccl.net>
Date: Thursday, 10 July 2025 at 09:55
To: Tobias Kraemer <KRAEMERT. : .tcd.ie>
Subject: CCL: The CCL goes away....

[External Email] This email originated outside= of Trinity College Dublin. Do not click links or open attachments unless you recognise the send= er and know the content is safe.

Dear Ja= n,

&n= bsp;

Thank y= ou very much for all the work over the years. The list was very useful to m= e at the start of my career, and I'm still following it, even if my interac= tions with the list have gone down in latter years, as I've switched field.

&n= bsp;

With be= st wishes for the future, and happy travel!

&n= bsp;

Per-Ola= Norrby

From: owner-= chemistry+per-ola.norrby=3D=3Dastrazeneca.com,+,ccl.net <owner-chemistry= +per-ola.norrby=3D=3Dastrazeneca.com,+,ccl.net> on behalf of Jan Labanowski jasienku|a|gmail.com <owner-chemistry,+,ccl= .net>
Sent: Wednesday, July 9, 2025 3:42
To: Norrby, Per-Ola <Per-Ola.Norrby,+,astrazeneca.com>
Subject: CCL: The CCL goes away....

 

Dear CCL Subscribers,

CCL Closure

With some melancholic feelings I need to announce that I will be closing th= e CCL Mailing list, i.e., the mail sent to chemistry-#-ccl.net will no= longer distribute messages to CCL Subscribers. It will happen within a wee= k or two. This service is just no longer used, that is, it is no longer needed. Yet, operating this kind of service= is a lot of work due to the overwhelming level of spam attempts and also e= xploits to attack the server. On top of this, I am getting senile, and keep= ing up with these developments becomes a burden. So, at some point (a week or two) the address chemistry-#-cc= l.net and corresponding Web pag= es to submit messages to the list, will no longer distribute email to subscribers.

I will try to keep the CCL Web site running for a bit longer, so if you nee= d to grab something from there, you still have a month or two. Also, since = there are some unexpired position openings announcements ( https://server.ccl.net/jobs ), I need to run this site, as it was my commitment. I plan to do some tr= aveling later this summer and fall, and I will probably close the CCL Web site at this time. Leaving the server wi= thout monitoring is becoming a very risky proposition lately.

I would like to thank all CCL participants, for being with me. Some of you = were members of CCL Community for a long time. It makes me believe, that at= some point, it was a useful service, and it helped Computational Chemistry= to gain more popularity.

Thank you for participating... It was a honor!

Jan Labanowski
jasienku-#-gmail.com , cc= l-#-ccl.net

Confidentiality Notice: This message is private and may contain confidential and prop= rietary information. If you have received this message in error, please not= ify us and remove it from your system and note that you must not copy, distribute or take any action in reliance on it. A= ny unauthorized use or disclosure of the contents of this message is not pe= rmitted and may be unlawful.

--_000_GV1PR02MB8515361914F5C25CF7E49915B84BAGV1PR02MB8515eurp_-- From owner-chemistry@ccl.net Fri Jul 11 18:29:01 2025 From: "Soren Eustis soreneustis,gmail.com" To: CCL Subject: CCL: The CCL goes away... Message-Id: <-55395-250711154624-5076-aEnMjIgcOn7E+AlSvexYyA|*|server.ccl.net> X-Original-From: "Soren Eustis" Date: Fri, 11 Jul 2025 15:46:19 -0400 Sent to CCL by: "Soren Eustis" [soreneustis]*[gmail.com] I am very sad to see the end of the CCL. However, I am filled with such gratitude for Jan and everything he has done to keep this list running. The service he has provided has been invaluable. I know the work behind the scenes was extensive and often thankless. It has been a tremendous contribution to science! I first joined the list around 2000, just as I was starting to learn the basics of computational chemistry in college. This list has been a valuable resource for me through college, graduate school, postdoc, and as faculty. No other resource has been as valuable to me when I was stuck on a basic, or rather complex, research issue. Thank you to Jan, and thanks to all of the regular posters who have contributed so much to my success as a scientist! Soren Eustis