From chemistry-request@server.ccl.net Sun Mar 9 07:13:29 2003 Return-Path: Reply-To: From: "Mark Thompson" To: Cc: Subject: Bugfix for ArgusLab 3.1 Date: Sun, 9 Mar 2003 18:31:05 -0800 Message-ID: <000601c2e6ad$19fce510$0300a8c0@attbi.com> We have just posted a bugfix version of ArgusLab 3.1 on our website http://www.arguslab.com/download_3_0.htm This release fixes several bugs in the molecule builder/editor and fixes bugs in saving of ZINDO UV/vis spectroscopic results to the .uv file. All ArgusLab 3.0 and 3.1 users can download and install this release for free. Please let us know if you have any problems, bugs, or other issues with this release. Sincerely, Mark Thompson ================================= Mark Thompson, Ph.D. Planaria Software PO Box 55207 Seattle, WA 98155 http://www.arguslab.com FAX: 206-440-3305 ================================= From chemistry-request@server.ccl.net Mon Mar 10 04:16:07 2003 Received: from ra.abo.fi ([130.232.213.1]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2A9G6k17096 for ; Mon, 10 Mar 2003 04:16:07 -0500 Received: from urquell.abo.fi.abo.fi (urquell.abo.fi [130.232.210.248]) by ra.abo.fi (8.10.1/8.10.1) with ESMTP id h2A9Fuj16223 for ; Mon, 10 Mar 2003 11:16:01 +0200 (EET) From: Mikko Huhtala MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Message-ID: <15980.22994.640801.862@urquell.abo.fi> Date: Mon, 10 Mar 2003 11:24:34 +0200 To: chemistry@ccl.net Subject: Gold 1.2 segfaults on Red Hat 8.0 X-Mailer: VM 7.07 under Emacs 21.2.1 The Linux binary of Gold 1.2 segfaults on Red Hat 8.0 systems. I upgraded from Mandrake 8.2, where Gold runs without problems. The native compiler on RH 8.0 is GCC 3.2, which, I think, is binary incompatible with GCC 2.96 (Mdk 8.2). Apparently the libstdc++/libc in RH 8.0 do not work with Gold, even though I have the libstdc++-compat package installed. According to GDB, the segfault occurs in __libc_start_main () from /lib/i686/libc.so.6. Has anyone managed to run Gold on RH 8.0? Is the upcoming Gold 2.0 going to be compatible with GCC 3.2 -based distributions? Mikko From chemistry-request@server.ccl.net Mon Mar 10 06:37:16 2003 Received: from darius.ribotargets.com ([194.129.39.11]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2ABbGk32404 for ; Mon, 10 Mar 2003 06:37:16 -0500 Received: from echo.ribotargets.com (echo [194.129.39.91]) by darius.ribotargets.com (SGI-8.9.3/8.9.3) with ESMTP id LAA70833; Mon, 10 Mar 2003 11:37:06 GMT Received: from szilva (helo=localhost) by echo.ribotargets.com with local-esmtp (Exim 3.13 #1) id 18sLWa-0006qI-00; Mon, 10 Mar 2003 11:32:56 +0000 Date: Mon, 10 Mar 2003 11:32:56 +0000 (GMT) From: Szilveszter Juhos To: Mikko Huhtala cc: chemistry@ccl.net Subject: Re: CCL:Gold 1.2 segfaults on Red Hat 8.0 In-Reply-To: <15980.22994.640801.862@urquell.abo.fi> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Mon, 10 Mar 2003, Mikko Huhtala wrote: > native compiler on RH 8.0 is GCC 3.2, which, I think, is binary > incompatible with GCC 2.96 (Mdk 8.2). Apparently the libstdc++/libc in Hello, If you check http://gcc.gnu.org, there is no such a thing like gcc 2.96 :/ It is invented by RH and unfortunatelly have loads of compatibility problems. If the compatibility libs are on your system, you can try: make CC=egcs CXX=egcs++ that is still an old version (2.91). Other option is to get a real compiler from the gcc website and re-compile it for yourself. Takes some time but worth it. Cheers: Szilva From chemistry-request@server.ccl.net Mon Mar 10 07:19:49 2003 Received: from hkusua.hku.hk ([147.8.2.91]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2ACJmk00991 for ; Mon, 10 Mar 2003 07:19:48 -0500 Received: from webmaila.hku.hk (webmaila-ge.hku.hk [147.8.145.200]) by hkusua.hku.hk (8.12.8/8.12.8) with ESMTP id h2ACJeDF012339 for ; Mon, 10 Mar 2003 20:19:40 +0800 (HKT) X-Spam-Filter: check_local@hkusua.hku.hk by digitalanswers.org X-WebMail-UserID: h9807907@hkusua.hku.hk Date: Mon, 10 Mar 2003 20:19:40 +0800 Sender: h9807907 From: h9807907 To: CHEMISTRY@ccl.net X-EXP32-SerialNo: 00002816 Subject: Question about links in Gaussian98 Message-ID: <3E6F7A38@webmaila.hku.hk> Mime-Version: 1.0 Content-Type: text/plain; charset="ISO-8859-1" Content-Transfer-Encoding: 7bit X-Mailer: WebMail (Hydra) SMTP v3.61.08 X-MailScanner: 0 Dear CCLers, Do anyone know what is the meaning of "primitive fashion" in the following link? And, how do these two links differ? L310 Computes spdf 2-electron integrals in a primitive fashion L314 Computes spdf 2-electron integrals Thanks in advance. Best Regards, Larry From chemistry-request@server.ccl.net Mon Mar 10 03:48:12 2003 Received: from marilyn.uochb.cas.cz ([147.231.120.1]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2A8mBk15062 for ; Mon, 10 Mar 2003 03:48:11 -0500 Received: from iveta.uochb.cas.cz (iveta.uochb.cas.cz [147.231.120.176]) by marilyn.uochb.cas.cz (8.11.6/8.11.6) with ESMTP id h2A8m6e06949 for ; Mon, 10 Mar 2003 09:48:06 +0100 Received: from svozil by iveta.uochb.cas.cz with local (Exim 3.35 #1 (Debian)) id 18sIx5-0001T5-00 for ; Mon, 10 Mar 2003 09:48:07 +0100 Date: Mon, 10 Mar 2003 09:48:07 +0100 To: chemistry@ccl.net Subject: 64-bit RISC machines - SUMMARY Message-ID: <20030310084806.GA5642@iveta.uochb.cas.cz> Mime-Version: 1.0 Content-Type: multipart/mixed; boundary="pWyiEgJYm5f9v55/" Content-Disposition: inline User-Agent: Mutt/1.3.28i From: Daniel Svozil --pWyiEgJYm5f9v55/ Content-Type: text/plain; charset=us-ascii Content-Disposition: inline Hi, here is the summary of my knowledge about the use (and usefulness) of 64-bit RISC machines in computational chemistry. As the document is 8 pages long, I prepared PDF file that is attached to this e-mail (I hope it will go through the system). If you have any questions, please do not hesitate and contact me at svozil@uochb.cas.cz. Hope you will find the list interesting. Regards Dan -- Daniel Svozil, PhD Institute of Organic Chemistry and Biochemistry and Center for Complex Molecular Systems and Biomolecules http://www.molecular.cz/ Czech Republic phone: +420-2-20 183 263 [=========================================== From the CCL editor: jkl@ccl.net Due to size, the PDF file is not attached to this message, but placed in CCL archive under: http://www.ccl.net/chemistry/resources/overview/ or http://www.ccl.net/cca/documents Namely: http://www.ccl.net/cca/documents/64-bit_in_CC_summary.pdf ================================================] From chemistry-request@server.ccl.net Mon Mar 10 11:24:02 2003 Received: from web21207.mail.yahoo.com ([216.136.175.165]) by server.ccl.net (8.11.6/8.11.0) with SMTP id h2AGO1x08303 for ; Mon, 10 Mar 2003 11:24:01 -0500 Message-ID: <20030310162401.53172.qmail@web21207.mail.yahoo.com> Received: from [4.20.197.6] by web21207.mail.yahoo.com via HTTP; Mon, 10 Mar 2003 08:24:01 PST Date: Mon, 10 Mar 2003 08:24:01 -0800 (PST) From: Konstantin Kudin Subject: Re: CCL:64-bit RISC machines - SUMMARY To: Daniel Svozil Cc: chemistry@ccl.net In-Reply-To: <20030310084806.GA5642@iveta.uochb.cas.cz> MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Daniel Good document on 64 bit computing in CC! IMO, it could benefit substantially if the reasons for going 64 bits were explained more clearly. Specifically, it appears that pretty much every 32 bit application on every OS is stuck with the 2Gb RAM limit (even outside of CC). That is very achievable with the latest systems. Also, there are usually limits on the size of temporary files on the hard drive. Current hard drive sizes far exceed what some CC applications could address in terms of disk space in 32 bits. Thus, one could expect a pretty significant push from all vendors/software developers to 64 bits. While x86 32 bit systems have become really competitive with RISC systems in terms of CPU performance and memory bandwidth, the addressable memory size is becoming the major roadblock. Some calculations can't be run in 32 bits simply because the needed RAM and disk space could not be allocated and addressed on the software level. It is not a problem to leave a computer running for a month, but what can one do if enough RAM can't be allocated due to 32 bit limitations? From this perspective the upcoming x86-64 systems under Linux could provide huge benefit to the CC community. The addressable RAM and disk could go as far as the limits of physical RAM and disk space, thus enabling truly monstrous calculations on really cheap systems. Regards, Konstantin --- Daniel Svozil wrote: > Hi, > > here is the summary of my knowledge about the use > (and usefulness) of > 64-bit RISC machines in computational chemistry. As > the document is > 8 pages long, I prepared PDF file that is attached > to this e-mail (I > hope it will go through the system). If you have any > questions, please > do not hesitate and contact me at > svozil@uochb.cas.cz. __________________________________________________ Do you Yahoo!? Yahoo! Tax Center - forms, calculators, tips, more http://taxes.yahoo.com/ From chemistry-request@server.ccl.net Mon Mar 10 14:03:37 2003 Received: from marilyn.uochb.cas.cz ([147.231.120.1]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AJ3ax11995 for ; Mon, 10 Mar 2003 14:03:36 -0500 Received: from iveta.uochb.cas.cz (iveta.uochb.cas.cz [147.231.120.176]) by marilyn.uochb.cas.cz (8.11.6/8.11.6) with ESMTP id h2AJ3Ze19159 for ; Mon, 10 Mar 2003 20:03:35 +0100 Received: from svozil by iveta.uochb.cas.cz with local (Exim 3.35 #1 (Debian)) id 18sSYi-0000N5-00 for ; Mon, 10 Mar 2003 20:03:36 +0100 Date: Mon, 10 Mar 2003 20:03:36 +0100 To: chemistry@ccl.net Subject: 64-bit machines document - where is it? Message-ID: <20030310190336.GA1404@iveta.uochb.cas.cz> Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Disposition: inline User-Agent: Mutt/1.3.28i From: Daniel Svozil Hi, the PDF document didn't get into CCL list due to its size, it can be downloaded from: http://www.ccl.net/cca/documents/64-bit_in_CC_summary.pdf Regards Dan -- Daniel Svozil, PhD Institute of Organic Chemistry and Biochemistry and Center for Complex Molecular Systems and Biomolecules http://www.molecular.cz/ Czech Republic phone: +420-2-20 183 263 From chemistry-request@server.ccl.net Mon Mar 10 11:40:58 2003 Received: from mail.nnit.dk ([152.73.7.111]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AGevx08849 for ; Mon, 10 Mar 2003 11:40:58 -0500 Received: from localhost (localhost.novonordisk.com [127.0.0.1]) by localhost.novonordisk.com (Postfix) with ESMTP id 9AD7E15017A for ; Mon, 10 Mar 2003 17:40:57 +0100 (CET) Received: from mail9m-int.novo.dk (mail9m-int.novo.dk [10.1.13.98]) by mail9m-ext.novo.dk (Postfix) with ESMTP id CAAF1150193 for ; Mon, 10 Mar 2003 17:40:56 +0100 (CET) Received: from exdkhub06.novo.dk (exdkhub06.novo.dk [10.1.8.216]) by mail9m-int.novo.dk (Postfix) with ESMTP id 9F1BA14800C for ; Mon, 10 Mar 2003 17:40:56 +0100 (CET) Received: by exdkhub06.novo.dk with Internet Mail Service (5.5.2653.19) id ; Mon, 10 Mar 2003 17:40:56 +0100 Message-ID: <76F96CFE2AA2114C886B028A065A7FC4103A5E@exdkba020.novo.dk> From: "LEDM (Leonardo De Maria)" To: "'chemistry@ccl.net'" Subject: Protein-polysaccharide interactions: CHARMM parameters? Date: Mon, 10 Mar 2003 17:40:52 +0100 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2653.19) Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C2E723.D06635B2" X-Virus-Scanned: AMaViS/novo-catpipe (uvscan: v4.1.60/v4251. iscan: v3.1/v6.150-1001/470/47916. ), processed in 0.593189 s. This message is in MIME format. Since your mail reader does not understand this format, some or all of this message may not be legible. ------_=_NextPart_001_01C2E723.D06635B2 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi to everyone, I am setting up some MD simulations of protein-polysaccharide complexes = and I was wandering if there is a set of parameter for CHARMM to do this. I have already = found prof. Brady's new CHARMM parameters for polysaccharides in solution but they are not useful for = my purpose. Any help from out there? Bye, Leonardo De Maria, Ph.D. Research Scientist Novozymes A/S Sm=F8rmosevej 25 2880 Bagsv=E6rd Denmark Phone: +45 44421890 Fax: +45 44980246 e.mail: ledm@novozymes.com ------_=_NextPart_001_01C2E723.D06635B2 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Protein-polysaccharide interactions: CHARMM parameters?

Hi to everyone,

I am setting up some MD simulations of = protein-polysaccharide complexes and I was wandering
if there is a set of parameter for = CHARMM to do this. I have already found prof. Brady's new CHARMM
parameters for polysaccharides in = solution but they are not useful for my purpose.

Any help from out there?

Bye,

Leonardo De Maria, Ph.D.
Research Scientist
Novozymes A/S
Sm=F8rmosevej 25
2880 Bagsv=E6rd
Denmark

Phone:  +45 44421890
Fax:      = +45 44980246

e.mail: ledm@novozymes.com


------_=_NextPart_001_01C2E723.D06635B2-- From chemistry-request@server.ccl.net Mon Mar 10 16:04:15 2003 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AL4Fx14284 for ; Mon, 10 Mar 2003 16:04:15 -0500 Received: from krakow.ccl.net (krakow.ccl.net [192.148.249.195]) by ccl.net (8.11.6+Sun/8.11.6/OSC 2.1) with ESMTP id h2AL4Et18387; Mon, 10 Mar 2003 16:04:14 -0500 (EST) Date: Mon, 10 Mar 2003 16:04:13 -0500 (EST) From: Jan Labanowski To: chemistry@ccl.net cc: Jan Labanowski Subject: Prof. Alexander Ovchinnikov dies Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII I am reporting with great sadness that Professor Alexander Ovchinnikov recently died of heart failure. Prof. Alexander Anatolievich Ovchinnikow was born on November 11, 1938. In 1970 he became a professor of Chemical Physics. In 1981 he joined the Russian Academy of Sciences as a corresponding member. He held important scientific posts (Karpov Institute of Chemical Physics, Department of Electronics of Organic Materials at Institute of Chemical Physics of RAS). After spending some time at the Max-Planck Institute for Physics of Complex Systems in Dresden, he returned to Moscow to head the Department of Electronics of Organic Materials at the Institute of Biochemical Physics of RAS ( http://ibcp.chph.ras.ru/ ). A memorial service will be held at his Institute at 10:30 am Moscow time, on Tue, March 11, 2003. He will be remembered for his friendly and open attitude, always ready to help and assist. He will be missed by many in the scientific community as a friend, mentor, and teacher. His knowledge and understanding are irreplaceable. He is survived by his wife Marina and his sons. For me personally, and for all of us who had a chance to know Sasha and to work with him, it is an unexpected and tragic news... Jan K. Labanowski jkl@ccl.net From chemistry-request@server.ccl.net Mon Mar 10 13:09:34 2003 Received: from mxout5.cac.washington.edu ([140.142.32.135]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AI9Yx11040 for ; Mon, 10 Mar 2003 13:09:34 -0500 Received: from smtp.washington.edu (smtp.washington.edu [140.142.33.9]) by mxout5.cac.washington.edu (8.12.1+UW03.03/8.12.1+UW02.12) with ESMTP id h2AI9NEk031399 for ; Mon, 10 Mar 2003 10:09:24 -0800 Received: from DGVR6B21 ([128.95.128.116]) by smtp.washington.edu (8.12.1+UW03.03/8.12.1+UW02.12) with SMTP id h2AI9NwZ001978 for ; Mon, 10 Mar 2003 10:09:23 -0800 Message-ID: <003d01c2e730$31e0d5a0$74805f80@DGVR6B21> From: "Carsten Detering" To: Subject: LUDI Date: Mon, 10 Mar 2003 19:09:30 +0100 Organization: University of Washington MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_003A_01C2E738.939F2320" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1106 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1106 This is a multi-part message in MIME format. ------=_NextPart_000_003A_01C2E738.939F2320 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi everybody, does anybody know a link to a manual or user's guide to Boehm's LUDI? Thanks in advance, Carsten ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Carsten Detering, Ph.D. University of Washington Seattle, WA 98195 Fon 206-543-5081 Fax 206-865-8665 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ------=_NextPart_000_003A_01C2E738.939F2320 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Hi everybody,
 
does anybody know a link to a manual or = user's=20 guide to Boehm's LUDI?
 
Thanks in advance,
 
Carsten
 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Carsten = Detering,=20 Ph.D.
University of Washington
Seattle, WA 98195
Fon=20 206-543-5081
Fax=20 206-865-8665
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
------=_NextPart_000_003A_01C2E738.939F2320-- From chemistry-request@server.ccl.net Mon Mar 10 13:12:12 2003 Received: from bureau6.utcc.utoronto.ca ([128.100.132.16]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AICCx11098 for ; Mon, 10 Mar 2003 13:12:12 -0500 Received: from mditdell.mdit.utoronto.ca ([128.100.251.12] HELO MditDell ident: IDENT-NOT-QUERIED [port 1395]) by bureau6.utcc.utoronto.ca with SMTP id <238459-11665>; Mon, 10 Mar 2003 13:12:03 -0500 From: "William Wei" To: "CCLers" , "Amber List" Subject: Parameters for Hyddantoin derivatives? Date: Mon, 10 Mar 2003 13:13:48 -0500 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 Importance: Normal Hi, does anyone know where I can get the parameters for Hydantoin or its' derivatives? Thanks a lot! Have a good day. William ------------------------- William Wei Faculty of Pharmacy 19 Russell Street Toronto, ON. M5S 2S2 Tel: 1-416-946-8469 Fax: 1-416-978-8511 Email: william@phm.utoronto.ca william.wei@utoronto.ca From chemistry-request@server.ccl.net Mon Mar 10 11:40:58 2003 Received: from mail.nnit.dk ([152.73.7.111]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AGevx08849 for ; Mon, 10 Mar 2003 11:40:58 -0500 Received: from localhost (localhost.novonordisk.com [127.0.0.1]) by localhost.novonordisk.com (Postfix) with ESMTP id 9AD7E15017A for ; Mon, 10 Mar 2003 17:40:57 +0100 (CET) Received: from mail9m-int.novo.dk (mail9m-int.novo.dk [10.1.13.98]) by mail9m-ext.novo.dk (Postfix) with ESMTP id CAAF1150193 for ; Mon, 10 Mar 2003 17:40:56 +0100 (CET) Received: from exdkhub06.novo.dk (exdkhub06.novo.dk [10.1.8.216]) by mail9m-int.novo.dk (Postfix) with ESMTP id 9F1BA14800C for ; Mon, 10 Mar 2003 17:40:56 +0100 (CET) Received: by exdkhub06.novo.dk with Internet Mail Service (5.5.2653.19) id ; Mon, 10 Mar 2003 17:40:56 +0100 Message-ID: <76F96CFE2AA2114C886B028A065A7FC4103A5E@exdkba020.novo.dk> From: "LEDM (Leonardo De Maria)" To: "'chemistry@ccl.net'" Subject: Protein-polysaccharide interactions: CHARMM parameters? Date: Mon, 10 Mar 2003 17:40:52 +0100 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2653.19) Content-Type: multipart/alternative; boundary="----_=_NextPart_001_01C2E723.D06635B2" X-Virus-Scanned: AMaViS/novo-catpipe (uvscan: v4.1.60/v4251. iscan: v3.1/v6.150-1001/470/47916. ), processed in 0.593189 s. This message is in MIME format. Since your mail reader does not understand this format, some or all of this message may not be legible. ------_=_NextPart_001_01C2E723.D06635B2 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi to everyone, I am setting up some MD simulations of protein-polysaccharide complexes = and I was wandering if there is a set of parameter for CHARMM to do this. I have already = found prof. Brady's new CHARMM parameters for polysaccharides in solution but they are not useful for = my purpose. Any help from out there? Bye, Leonardo De Maria, Ph.D. Research Scientist Novozymes A/S Sm=F8rmosevej 25 2880 Bagsv=E6rd Denmark Phone: +45 44421890 Fax: +45 44980246 e.mail: ledm@novozymes.com ------_=_NextPart_001_01C2E723.D06635B2 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Protein-polysaccharide interactions: CHARMM parameters?

Hi to everyone,

I am setting up some MD simulations of = protein-polysaccharide complexes and I was wandering
if there is a set of parameter for = CHARMM to do this. I have already found prof. Brady's new CHARMM
parameters for polysaccharides in = solution but they are not useful for my purpose.

Any help from out there?

Bye,

Leonardo De Maria, Ph.D.
Research Scientist
Novozymes A/S
Sm=F8rmosevej 25
2880 Bagsv=E6rd
Denmark

Phone:  +45 44421890
Fax:      = +45 44980246

e.mail: ledm@novozymes.com


------_=_NextPart_001_01C2E723.D06635B2-- From chemistry-request@server.ccl.net Mon Mar 10 13:09:34 2003 Received: from mxout5.cac.washington.edu ([140.142.32.135]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AI9Yx11040 for ; Mon, 10 Mar 2003 13:09:34 -0500 Received: from smtp.washington.edu (smtp.washington.edu [140.142.33.9]) by mxout5.cac.washington.edu (8.12.1+UW03.03/8.12.1+UW02.12) with ESMTP id h2AI9NEk031399 for ; Mon, 10 Mar 2003 10:09:24 -0800 Received: from DGVR6B21 ([128.95.128.116]) by smtp.washington.edu (8.12.1+UW03.03/8.12.1+UW02.12) with SMTP id h2AI9NwZ001978 for ; Mon, 10 Mar 2003 10:09:23 -0800 Message-ID: <003d01c2e730$31e0d5a0$74805f80@DGVR6B21> From: "Carsten Detering" To: Subject: LUDI Date: Mon, 10 Mar 2003 19:09:30 +0100 Organization: University of Washington MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_003A_01C2E738.939F2320" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1106 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1106 This is a multi-part message in MIME format. ------=_NextPart_000_003A_01C2E738.939F2320 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi everybody, does anybody know a link to a manual or user's guide to Boehm's LUDI? Thanks in advance, Carsten ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Carsten Detering, Ph.D. University of Washington Seattle, WA 98195 Fon 206-543-5081 Fax 206-865-8665 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ------=_NextPart_000_003A_01C2E738.939F2320 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Hi everybody,
 
does anybody know a link to a manual or = user's=20 guide to Boehm's LUDI?
 
Thanks in advance,
 
Carsten
 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Carsten = Detering,=20 Ph.D.
University of Washington
Seattle, WA 98195
Fon=20 206-543-5081
Fax=20 206-865-8665
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
------=_NextPart_000_003A_01C2E738.939F2320-- From chemistry-request@server.ccl.net Mon Mar 10 13:12:12 2003 Received: from bureau6.utcc.utoronto.ca ([128.100.132.16]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AICCx11098 for ; Mon, 10 Mar 2003 13:12:12 -0500 Received: from mditdell.mdit.utoronto.ca ([128.100.251.12] HELO MditDell ident: IDENT-NOT-QUERIED [port 1395]) by bureau6.utcc.utoronto.ca with SMTP id <238459-11665>; Mon, 10 Mar 2003 13:12:03 -0500 From: "William Wei" To: "CCLers" , "Amber List" Subject: Parameters for Hyddantoin derivatives? Date: Mon, 10 Mar 2003 13:13:48 -0500 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 Importance: Normal Hi, does anyone know where I can get the parameters for Hydantoin or its' derivatives? Thanks a lot! Have a good day. William ------------------------- William Wei Faculty of Pharmacy 19 Russell Street Toronto, ON. M5S 2S2 Tel: 1-416-946-8469 Fax: 1-416-978-8511 Email: william@phm.utoronto.ca william.wei@utoronto.ca From chemistry-request@server.ccl.net Mon Mar 10 16:04:15 2003 Received: from ccl.net ([192.148.249.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2AL4Fx14284 for ; Mon, 10 Mar 2003 16:04:15 -0500 Received: from krakow.ccl.net (krakow.ccl.net [192.148.249.195]) by ccl.net (8.11.6+Sun/8.11.6/OSC 2.1) with ESMTP id h2AL4Et18387; Mon, 10 Mar 2003 16:04:14 -0500 (EST) Date: Mon, 10 Mar 2003 16:04:13 -0500 (EST) From: Jan Labanowski To: chemistry@ccl.net cc: Jan Labanowski Subject: Prof. Alexander Ovchinnikov dies Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII I am reporting with great sadness that Professor Alexander Ovchinnikov recently died of heart failure. Prof. Alexander Anatolievich Ovchinnikow was born on November 11, 1938. In 1970 he became a professor of Chemical Physics. In 1981 he joined the Russian Academy of Sciences as a corresponding member. He held important scientific posts (Karpov Institute of Chemical Physics, Department of Electronics of Organic Materials at Institute of Chemical Physics of RAS). After spending some time at the Max-Planck Institute for Physics of Complex Systems in Dresden, he returned to Moscow to head the Department of Electronics of Organic Materials at the Institute of Biochemical Physics of RAS ( http://ibcp.chph.ras.ru/ ). A memorial service will be held at his Institute at 10:30 am Moscow time, on Tue, March 11, 2003. He will be remembered for his friendly and open attitude, always ready to help and assist. He will be missed by many in the scientific community as a friend, mentor, and teacher. His knowledge and understanding are irreplaceable. He is survived by his wife Marina and his sons. For me personally, and for all of us who had a chance to know Sasha and to work with him, it is an unexpected and tragic news... Jan K. Labanowski jkl@ccl.net