From owner-chemistry@ccl.net Sun Jun 5 03:06:01 2011 From: "Gerard Pujadas gerard.pujadas-#-gmail.com" To: CCL Subject: CCL: Looking for ChemAxon- or OpenEyeAre-based educational materials for chemoinformatics or virtual screening teaching Message-Id: <-44839-110604234900-11824-aatjBOzIlQH45tlR47atXw:-:server.ccl.net> X-Original-From: Gerard Pujadas Content-Type: multipart/alternative; boundary=000e0cd6cf78a0cde804a4eb4af0 Date: Sun, 5 Jun 2011 01:33:03 +0200 MIME-Version: 1.0 Sent to CCL by: Gerard Pujadas [gerard.pujadas^^^gmail.com] --000e0cd6cf78a0cde804a4eb4af0 Content-Type: text/plain; charset=ISO-8859-1 Dear CCL members, taking into account that OpenEye and ChemAxon grant their software for teaching porpoises, I wonder if any of you know a chemoinformatics or virtual screening course mainly based on their programs. Thanks in advances for your help Have a nice weekend Yours Gerard -- Gerard Pujadas http://bioquimica.urv.cat/eng/fitxa.jsp?id=22 Nutrigenomics Research Group phone +34 977 55 (9565) Biochemistry and Biotechnology Department Office 106, Building N4, Campus Sescelades Universitat Rovira i Virgili Tarragona, Catalonia --000e0cd6cf78a0cde804a4eb4af0 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear CCL members,

taking into account that OpenEye and ChemAxon gran= t their software for teaching porpoises, I wonder if any of you know a chem= oinformatics or virtual screening course mainly based on their programs.
Thanks in advances for your help

Have a nice weekend

Your= s

Gerard

--
Gerard Pujadas
http://bio= quimica.urv.cat/eng/fitxa.jsp?id=3D22
Nutrigenomics Research Group
phone +34 977 55 (9565)
Biochemistry and= Biotechnology Department
Office 106, Building N4, Campus Sescelades
= Universitat Rovira i Virgili
Tarragona, Catalonia
--000e0cd6cf78a0cde804a4eb4af0-- From owner-chemistry@ccl.net Sun Jun 5 15:16:00 2011 From: "Arindam Ganguly arindamganguly(a)gmail.com" To: CCL Subject: CCL:G: Polymer FTIR/Raman spectral simulation using Gaussian 03W Message-Id: <-44840-110605151112-16581-LJgLj/7dwXr1ZdmbYo8ROw ~ server.ccl.net> X-Original-From: "Arindam Ganguly" Date: Sun, 5 Jun 2011 15:11:11 -0400 Sent to CCL by: "Arindam Ganguly" [arindamganguly^gmail.com] Dear CCL Users, Good afternoon and hope this message reaches you all well. I have question which is quite obvious from the subject of the message. Has anyone used Gaussian 03W for Polymer FTIR/Raman spectra simulation? Any guidance and references will be really helpful. I would also be grateful if anyone of you would be willing to share input files? Thank you all very much for your support. Sincerely, Arindam From owner-chemistry@ccl.net Sun Jun 5 15:50:00 2011 From: "Kalju Kahn kalju[-]chem.ucsb.edu" To: CCL Subject: CCL: Looking for ChemAxon- or OpenEyeAre-based educational materials for chemoinformatics or virtual screening teaching Message-Id: <-44841-110605150215-6231-Lxe+Zo4vUtScjk8dhjAMZg**server.ccl.net> X-Original-From: "Kalju Kahn" Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Sun, 5 Jun 2011 12:02:04 -0700 MIME-Version: 1.0 Sent to CCL by: "Kalju Kahn" [kalju..chem.ucsb.edu] Dear All, May I expand the scope of the question: Do any of you know any online modules for teaching any aspect of biological or computational chemistry using these programs? Tutorials, homework sets, case studies, etc? We are trying to introduce more real-life research type experience for undergraduates in their introductory chem/biochem courses, and thus my interest in discrete modules that lend themselves to adaptation. Thank you, Kalju > Dear CCL members, > > taking into account that OpenEye and ChemAxon grant their software for > teaching porpoises, I wonder if any of you know a chemoinformatics or > virtual screening course mainly based on their programs. > > Thanks in advances for your help > > Have a nice weekend > > Yours > > Gerard > > -- > Gerard Pujadas > http://bioquimica.urv.cat/eng/fitxa.jsp?id=22 > Nutrigenomics Research Group > phone +34 977 55 (9565) > Biochemistry and Biotechnology Department > Office 106, Building N4, Campus Sescelades > Universitat Rovira i Virgili > Tarragona, Catalonia > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Dr. Kalju Kahn Department of Chemistry and Biochemistry UC Santa Barbara, CA 93106 From owner-chemistry@ccl.net Sun Jun 5 18:00:00 2011 From: "Abhik Seal abhik1368[]gmail.com" To: CCL Subject: CCL: Integration of weka in eclipse Message-Id: <-44842-110605142054-19190-0tFPSyCEWmCOfjLiq9O69g]*[server.ccl.net> X-Original-From: "Abhik Seal" Date: Sun, 5 Jun 2011 14:20:51 -0400 Sent to CCL by: "Abhik Seal" [abhik1368-x-gmail.com] How can we intergrate weka as a plugin in Eclipse enviroment . I want a step by step guide in windows enviroment.