From owner-chemistry@ccl.net Tue Jan 20 10:08:01 2015
From: "Maurizio Botta info10ewdd%%gmail.com" <owner-chemistry^^^server.ccl.net>
To: CCL
Subject: CCL: Tenth European Workshop in Drug Design
Message-Id: <-50925-150120055155-17901-LG2uZ+oloYuemD+nOkdUNg^^^server.ccl.net>
X-Original-From: "Maurizio  Botta" <info10ewdd[A]gmail.com>
Date: Tue, 20 Jan 2015 05:51:54 -0500


Sent to CCL by: "Maurizio  Botta" [info10ewdd||gmail.com]
Workshop is dedicated to Academic and Industrial researchers and will be
held in Certosa di Pontignano, Siena, Italy, on May 17th - 22nd 2015.
The Tenth European Workshop in Drug Design will allow a maximum of 65
participating scientists to work closely with more than 20 leading
researchers from both drug industry and academic institutions in exploring
solutions to concrete problems encountered in the drug design and discovery
process. 
Like in the previous editions, the goal of the Workshop is to help
participants to collect, interpret and manage experimental data to design
new drugs, or drug candidates, using new methods of molecular modeling in
conjunction with synthetic feasibility concepts and metabolic profiling.
Interaction of these studies with strategies adopted in the Pharmaceutical
Industries, such as high-throughput screening, will be also explored.
Please visit our website www.ewdd.it
For information and registration contact info10ewdd##gmail.com
Fellowships are still available.


From owner-chemistry@ccl.net Tue Jan 20 10:43:01 2015
From: "berger|-|chem.helsinki.fi" <owner-chemistry .. server.ccl.net>
To: CCL
Subject: CCL:G: ACID software
Message-Id: <-50926-150120083247-28997-o+NvvOKiLTeair8dvFt/Jg .. server.ccl.net>
X-Original-From: berger%x%chem.helsinki.fi
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Date: Tue, 20 Jan 2015 15:32:30 +0200
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Sent to CCL by: berger|-|chem.helsinki.fi
Hello,

citing Rainer Herges group web-site:
"ACID is implemented in Gaussian® 09 since Revision D.01. To obtain the
ACID software package, feel free to contact us by e-mail (rherges [at]
oc.uni-kiel.de)."

best regards
   R.B.

> Sent to CCL by: "Tanay  Debnath" [tanay.iitk^^gmail.com]
> i would like to do a anisotropy of the current-induced density  (ACID)
> plot
> for a organic molecule. Could you suggest me to use a convenient free
> program?>
>
>


From owner-chemistry@ccl.net Tue Jan 20 12:14:00 2015
From: "Vincent lee to_wenqiangli|a|163.com" <owner-chemistry###server.ccl.net>
To: CCL
Subject: CCL: Welcome to the 15th International Congress of Quantum Chemistry !
Message-Id: <-50927-150120112926-29880-/wBuOQLm8k9jZPH8HyBrwQ###server.ccl.net>
X-Original-From: "Vincent  lee" <to_wenqiangli#%#163.com>
Date: Tue, 20 Jan 2015 11:29:25 -0500


Sent to CCL by: "Vincent  lee" [to_wenqiangli_-_163.com]
Dear Colleagues,
The 15th International Congress of Quantum Chemistry (ICQC) will take place 
in Beijing, June 8-13, 2015. The registration will be opened by Oct 1, 2014. 
Please browse http://www.icqc2015.org/. The following eminent theoretical 
chemists have accepted the invitation for lectures:
 
Millard Alexander (U Maryland), Yuriko Aoki (Kyushu U), Paul Ayers (McMaster 
U), Joel Bowman (Emory U), Ria Broer-Braam (Groningen U), Filipp Furche (UC 
Irvine), Jiali Gao (U Minnesota), Yiqin Gao (Peking U), Stefan Grimme (U 
Bonn), Sharon Hammes-Schiffer (UIUC), Martin Head-Gordon (UC Berkeley), 
Dudley Herschbach (Harvard, Nobel Laureate), Roald Hoffmann (Cornell U, Nobel 
Laureate), Kendall Houk (UCLA), Denis Jacquemin (U Nantes), Poul Jrgensen (U 
Aarhus), Kwang S. Kim (Ulsan), Wanzhen Liang (Xiamen U), Carmay Lim (Acad 
Sinica), Yi Luo (KTH), Rudolf Marcus (Caltech, Nobel Laureate), Benedetta 
Mennucci (U Pisa), Josef Michl (U Colorado), Keiji Morokuma (U Kyoto), 
Hiroshi Nakatsuji (QCRI), Jozef Noga (Comenius U), Oleg Prezhdo (U So Calif), 
Leo Radom (U Sydney), Lucia Reining(Ecole Polytech), Andreas Savin (UPMC), 
George Schatz (Northwester U), H. Bernhard Schlegel (Wayne State U), Tamar 
Seideman (Northwestern U), Juha Vaara (U Oulu), Xin Xu (Fudan U), Yijing Yan 
(Hong Kong UST), Xueming Yang (DICP), Donghui Zhang (DICP)
 
The registration fee is 350 EUROs (regular) and 175 EUROs (student), which 
covers (i) conference and reception, coffee breaks, all the lunches; (ii) 
tour to the Great Wall; (iii)  refreshments in the four poster sessions.
 
The conference venue will be in the Tsinghua University Campus (ranked by 
Forbes as one of the 14 most beautiful University Campuses in the world, only 
one from Asia), easy connected by subways and other public transport. Many 
hotels, restaurants, supermarkets, cafes are within the distance of 20-minute 
walk. You may also easily rent a bicycle for one week or even one month for 
less than 10 EUROs. Beijing is a fantastic place to see. And this is the very 
first ICQC in China.
 
Please check the air quality of Beijing in  http://aqicn.org/city/beijing/ : 
Beijing is not much worse than other megacities like Tokyo or New York on 
average. The air quality in the first half of June will be satisfactory and 
it is sure that you will enjoy the sunshine and the cosy temperature.
 
There will be eight satellite meetings featuring on specialized directions of 
theoretical and computational chemistry. Please consult the website.
 
Please mark your calendar. We look forward to welcoming you in China!
 
Sincerely,
 
Zhigang Shuai, Weihai Fang, Wenjian Liu, Weitao Yang
Organizing Committee of the 15th ICQC
http://www.icqc2015.org/


From owner-chemistry@ccl.net Tue Jan 20 14:21:00 2015
From: "Andrew Orry andy-#-molsoft.com" <owner-chemistry-*-server.ccl.net>
To: CCL
Subject: CCL: Free ChEMBL Workshop in San Diego - Jan 28th 2015
Message-Id: <-50928-150120142014-4009-CsH4m55u+UQcb7P3ZcTjkQ-*-server.ccl.net>
X-Original-From: Andrew Orry <andy^^^molsoft.com>
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Date: Tue, 20 Jan 2015 11:18:36 -0800
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Sent to CCL by: Andrew Orry [andy/a\molsoft.com]
Dear All,

MolSoft is hosting the Southern California leg of the ChEMBL ( 
https://www.ebi.ac.uk/chembl/ )  workshop tour on Jan 28th. The workshop 
is free so if you are in the area please join us. Please see 
http://www.molsoft.com/training.html for more information on the 
speakers and how to RSVP.

Thanks,
Andrew

-- 
Andrew Orry Ph.D.
Senior Research Scientist
MolSoft LLC
11199 Sorrento Valley Road
San Diego, CA 92121
--
Tel: 858-625-2000 x108
Fax: 858-625-2888
www.molsoft.com
www.twitter.com/MolSoft


From owner-chemistry@ccl.net Tue Jan 20 14:55:01 2015
From: "Rachelle Bienstock rachelleb1|a|gmail.com" <owner-chemistry~!~server.ccl.net>
To: CCL
Subject: CCL: Submit abstracts: Chemogenomics: Cheminformatics in the Genetic World
Message-Id: <-50929-150120143123-13688-Vn635zLIjODI6fSDeFSUIQ~!~server.ccl.net>
X-Original-From: "Rachelle  Bienstock" <rachelleb1|a|gmail.com>
Date: Tue, 20 Jan 2015 14:31:22 -0500


Sent to CCL by: "Rachelle  Bienstock" [rachelleb1===gmail.com]
 
I am organizing a symposium entitled "Chemogenomics: Cheminformatics in the Genetic World" for the American Chemical Society National meeting in Boston, August 16-20, 2015. 

I invite you to submit your abstract (prior to March 13),http://www.acs.org/content/acs/en/meetings/abstract-submissions/acsnm250/division-of-chemical-information.html 

Rachelle Bienstock, ACS CINF Chair


From owner-chemistry@ccl.net Tue Jan 20 15:46:00 2015
From: "Nico Green nicogreen6*gmail.com" <owner-chemistry---server.ccl.net>
To: CCL
Subject: CCL:G: Mac Software
Message-Id: <-50930-150120154359-31389-afQhuHSP1nqocw2ugl7Fxw---server.ccl.net>
X-Original-From: Nico Green <nicogreen6_-_gmail.com>
Content-Type: multipart/alternative; boundary=089e013d0be25082ef050d1b7fba
Date: Tue, 20 Jan 2015 17:43:54 -0300
MIME-Version: 1.0


Sent to CCL by: Nico Green [nicogreen6#,#gmail.com]
--089e013d0be25082ef050d1b7fba
Content-Type: text/plain; charset=UTF-8

Dear all

I always work with a Linux or Windows PC, but recently i just bought
macbook. I do not have a license for GaussView (software that used to work
with) and i need some software to process and watch the gaussian outputs
(opt, scans, freq, etc).

May anyone give me some recommendations?


Kind Regards,

Nico

--089e013d0be25082ef050d1b7fba
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<div dir=3D"ltr">Dear all<div><br></div><div>I always work with a Linux or =
Windows PC, but recently i just bought macbook. I do not have a license for=
 GaussView (software that used to work with) and i need some software to pr=
ocess and watch the gaussian outputs (opt, scans, freq, etc).</div><div><br=
></div><div>May anyone give me some recommendations?</div><div><br></div><d=
iv><br></div><div>Kind Regards,</div><div><br></div><div>Nico</div></div>

--089e013d0be25082ef050d1b7fba--


From owner-chemistry@ccl.net Tue Jan 20 17:29:00 2015
From: "Adam Tenderholt atenderholt_+_gmail.com" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL:G: Mac Software
Message-Id: <-50931-150120172046-2436-ZDRgxfoWN6hCff7mniSEug-#-server.ccl.net>
X-Original-From: Adam Tenderholt <atenderholt_+_gmail.com>
Content-Type: multipart/alternative; boundary=089e015375e464f83f050d1cd938
Date: Tue, 20 Jan 2015 14:20:20 -0800
MIME-Version: 1.0


Sent to CCL by: Adam Tenderholt [atenderholt*_*gmail.com]
--089e015375e464f83f050d1cd938
Content-Type: text/plain; charset=UTF-8

Hi Nico,

I created QMForge (http://qmforge.sourceforge.net/) for basically the
reasons you have listed. I'm also a fan of Avogadro (http://avogadro.org/),
and Macs in Chemistry is a great resource (http://www.macinchem.org/).

Adam


On Tue, Jan 20, 2015 at 12:43 PM, Nico Green nicogreen6*gmail.com <
owner-chemistry~~ccl.net> wrote:

> Dear all
>
> I always work with a Linux or Windows PC, but recently i just bought
> macbook. I do not have a license for GaussView (software that used to work
> with) and i need some software to process and watch the gaussian outputs
> (opt, scans, freq, etc).
>
> May anyone give me some recommendations?
>
>
> Kind Regards,
>
> Nico
>

--089e015375e464f83f050d1cd938
Content-Type: text/html; charset=UTF-8
Content-Transfer-Encoding: quoted-printable

<div dir=3D"ltr">Hi Nico,<div><br></div><div>I created QMForge (<a href=3D"=
http://qmforge.sourceforge.net/">http://qmforge.sourceforge.net/</a>) for b=
asically the reasons you have listed. I&#39;m also a fan of Avogadro (<a hr=
ef=3D"http://avogadro.org/">http://avogadro.org/</a>), and Macs in Chemistr=
y is a great resource (<a href=3D"http://www.macinchem.org/">http://www.mac=
inchem.org/</a>).</div><div><br></div><div>Adam</div><div><br></div></div><=
div class=3D"gmail_extra"><br><div class=3D"gmail_quote">On Tue, Jan 20, 20=
15 at 12:43 PM, Nico Green nicogreen6*<a href=3D"http://gmail.com">gmail.co=
m</a> <span dir=3D"ltr">&lt;<a href=3D"mailto:owner-chemistry~~ccl.net" targ=
et=3D"_blank">owner-chemistry~~ccl.net</a>&gt;</span> wrote:<br><blockquote =
class=3D"gmail_quote" style=3D"margin:0 0 0 .8ex;border-left:1px #ccc solid=
;padding-left:1ex"><div dir=3D"ltr">Dear all<div><br></div><div>I always wo=
rk with a Linux or Windows PC, but recently i just bought macbook. I do not=
 have a license for GaussView (software that used to work with) and i need =
some software to process and watch the gaussian outputs (opt, scans, freq, =
etc).</div><div><br></div><div>May anyone give me some recommendations?</di=
v><div><br></div><div><br></div><div>Kind Regards,</div><div><br></div><div=
>Nico</div></div>
</blockquote></div><br></div>

--089e015375e464f83f050d1cd938--


From owner-chemistry@ccl.net Tue Jan 20 18:04:01 2015
From: "segalemb=usp.br" <owner-chemistry#server.ccl.net>
To: CCL
Subject: CCL:G: Mac Software
Message-Id: <-50932-150120175534-18381-bQ7aGHtH7XKnTa6M1EqfFQ#server.ccl.net>
X-Original-From: segalemb..usp.br
Content-Type: multipart/alternative; 
	boundary="----=_Part_6422206_1613125535.1421794698468"
Date: Tue, 20 Jan 2015 20:58:18 -0200 (BRST)
MIME-Version: 1.0


Sent to CCL by: segalemb_+_usp.br
------=_Part_6422206_1613125535.1421794698468
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Nico,=20

There are some good free softwares that can help you:=20

- Avogadro=20
- Gabedit=20

Take a look in the site Macs in Chemistry: http://www.macinchem.org=20

Hope this help you,=20

Best regards,=20

Sergio=20

De: "Nico Green nicogreen6*gmail.com" <owner-chemistry-x-ccl.net>=20

> Para: "Sergio Emanuel Galembeck " <segalemb-x-usp.br>
> Enviadas: Ter=C3=A7a-feira, 20 de Janeiro de 2015 18:43:54
> Assunto: CCL:G: Mac Software

> Dear all

> I always work with a Linux or Windows PC, but recently i just bought
> macbook. I do not have a license for GaussView (software that used
> to work with) and i need some software to process and watch the
> gaussian outputs (opt, scans, freq, etc).

> May anyone give me some recommendations?

> Kind Regards,

> Nico
------=_Part_6422206_1613125535.1421794698468
Content-Type: text/html; charset=utf-8
Content-Transfer-Encoding: quoted-printable

<html><head><style type=3D'text/css'>p { margin: 0; }</style></head><body><=
div style=3D'font-family: times new roman,new york,times,serif; font-size: =
12pt; color: #000000'><div><font face=3D"Helvetica, Arial, sans-serif">Nico=
,</font></div><div><font face=3D"Helvetica, Arial, sans-serif"><br></font><=
/div><div><font face=3D"Helvetica, Arial, sans-serif">&nbsp; &nbsp; There a=
re some good free softwares that can help you:</font></div><div><font face=
=3D"Helvetica, Arial, sans-serif"><br></font></div><div><font face=3D"Helve=
tica, Arial, sans-serif">- Avogadro</font></div><div><font face=3D"Helvetic=
a, Arial, sans-serif">- Gabedit</font></div><div><font face=3D"Helvetica, A=
rial, sans-serif"><br></font></div><div><font face=3D"Helvetica, Arial, san=
s-serif">&nbsp; &nbsp; &nbsp;Take a look in the site Macs in Chemistry:&nbs=
p;</font><span style=3D"font-size: 12pt;">http://www.macinchem.org</span></=
div><div><span style=3D"font-size: 12pt;"><br></span></div><div><span style=
=3D"font-size: 12pt;">&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Hope =
this help you,</span></div><div><span style=3D"font-size: 12pt;"><br></span=
></div><div><span style=3D"font-size: 12pt;">&nbsp; &nbsp; &nbsp; &nbsp; &n=
bsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; Best regards,</span></div><d=
iv><span style=3D"font-size: 12pt;"><br></span></div><div><span style=3D"fo=
nt-size: 12pt;">&nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nb=
sp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;Sergio</span></div><b style=3D=
"font-family: Helvetica, Arial, sans-serif; font-size: 12pt;"><div><b style=
=3D"font-family: Helvetica, Arial, sans-serif; font-size: 12pt;"><br></b></=
div>De: </b><span style=3D"font-family: Helvetica, Arial, sans-serif; font-=
size: 12pt;">"Nico Green nicogreen6*gmail.com" &lt;owner-chemistry-x-ccl.net&=
gt;</span><br><blockquote style=3D"font-family: Helvetica, Arial, sans-seri=
f; border-left-width: 2px; border-left-style: solid; border-left-color: rgb=
(16, 16, 255); margin-left: 5px; padding-left: 5px; color: rgb(0, 0, 0); fo=
nt-weight: normal; font-style: normal; text-decoration: none; font-size: 12=
pt;"><b>Para: </b>"Sergio Emanuel Galembeck " &lt;segalemb-x-usp.br&g=
t;<br><b>Enviadas: </b>Ter=C3=A7a-feira, 20 de Janeiro de 2015 18:43:54<br>=
<b>Assunto: </b>CCL:G: Mac Software<br><br><div dir=3D"ltr">Dear all<div><b=
r></div><div>I always work with a Linux or Windows PC, but recently i just =
bought macbook. I do not have a license for GaussView (software that used t=
o work with) and i need some software to process and watch the gaussian out=
puts (opt, scans, freq, etc).</div><div><br></div><div>May anyone give me s=
ome recommendations?</div><div><br></div><div><br></div><div>Kind Regards,<=
/div><div><br></div><div>Nico</div></div>
</blockquote><br></div></body></html>
------=_Part_6422206_1613125535.1421794698468--


From owner-chemistry@ccl.net Tue Jan 20 18:39:01 2015
From: "William F. Polik polik!=!hope.edu" <owner-chemistry * server.ccl.net>
To: CCL
Subject: CCL:G: Mac Software
Message-Id: <-50933-150120181145-28678-lh9FDXCUFRGoU9H75lzgPA * server.ccl.net>
X-Original-From: "William F. Polik" <polik ~~ hope.edu>
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Date: Tue, 20 Jan 2015 18:11:39 -0500
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Sent to CCL by: "William F. Polik" [polik!A!hope.edu]
Nico,

WebMO (www.webmo.net) works on Windows, Linux, and Mac.  It allows you 
to setup, submit, and view jobs to Gaussian and many other programs.

Will

On 1/20/15 3:43 PM, Nico Green nicogreen6*gmail.com wrote:
> Dear all
>
> I always work with a Linux or Windows PC, but recently i just bought 
> macbook. I do not have a license for GaussView (software that used to 
> work with) and i need some software to process and watch the gaussian 
> outputs (opt, scans, freq, etc).
>
> May anyone give me some recommendations?
>
>
> Kind Regards,
>
> Nico