From chemistry-request@server.ccl.net Thu Jan 18 10:38:33 2001 Received: from pn2.vsnl.net.in (pn2.vsnl.net.in [202.54.10.17]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f0IFcVd08751 for ; Thu, 18 Jan 2001 10:38:31 -0500 Received: from pn2.vsnl.net.in ([203.199.128.175]) by pn2.vsnl.net.in (8.9.0/8.9.0) with ESMTP id VAA15664; Thu, 18 Jan 2001 21:07:08 +0530 (IST) Message-ID: <3A671282.2E76CB96@pn2.vsnl.net.in> Date: Thu, 18 Jan 2001 21:27:55 +0530 From: "Dr. Gadres" X-Mailer: Mozilla 4.5 [en] (Win95; I) X-Accept-Language: en MIME-Version: 1.0 To: CHEMISTRY@server.ccl.net, gadre@chem.unipune.ernet.in, tcg@chem.unipune.ernet.in Subject: Dimers of furan, pyrrole and thiophene.. Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Sirs : It is well-known that benzene dimer has two possible geometries. One of these is T-shaped where one benzene molecule is perpendicular to the othe other one. The other is the so-called shifted parallel one. Is there something known about the dimers of thiophene, furan and pyrrole molecules? Any references will be greatly appreciated. Thanks in anticipation!....................................students of Professor Gadre From chemistry-request@server.ccl.net Thu Jan 18 12:55:58 2001 Received: from magnum.cooper.edu (magnum.cooper.edu [199.98.16.4]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f0IHtnd09236 for ; Thu, 18 Jan 2001 12:55:57 -0500 Received: from robin.cooper.edu by magnum.cooper.edu with SMTP id AA28227 (5.65c/IDA-1.4.4 for ); Thu, 18 Jan 2001 12:52:00 -0500 Received: from localhost by robin.cooper.edu (SMI-8.6/SMI-SVR4) id MAA19754; Thu, 18 Jan 2001 12:51:39 -0500 Date: Thu, 18 Jan 2001 12:51:39 -0500 (EST) From: "Prof. Robert Q. Topper" To: chemistry@ccl.net, n_harris@ameritech.net Cc: ECCC7 Scientific Organizing Committee -- Dave Ferguson , Francis Muguet , JML Gershom Martin , Mark Tuckerman , Robert Topper , Yi-Ping Liu , ECCC7 Web Organizing Commitee -- HOPKINS BOB , Dominic Coluccio , LENT CHRISTOPHER P Subject: ECCC7 Call for Abstracts Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII January 18, 2001 - CALL FOR ABSTRACTS Dear colleagues, This is just a note to remind everyone that abstracts for submissions to the 7th Electronic Computational Chemistry Conference must be submitted by February 23, 2001. If all goes well, we should have the conference server up and running before February 1 and will begin accepting abstracts there. An announcement will be posted when the server is up and ready to accept online abstract submissions. Please encourage your students, postdocs, colleagues, etc. to participate! The ECCC cannot exist, much less be a success, without your active participation and support. Abstracts may either be submitted directly to me after February 1 at topper@cooper.edu (using text, HTML or MSWord format) or by submitting them on the web at the conference server. The address of the server will be http://eccc7.cooper.edu/ . A link to the conference server will be provided at http://www.cooper.edu/engineering/chemechem/eccc7 as well. If you choose to send your abstract by email, please be sure to indicate whether you are submitting a "paper" or a "poster." Please use the following format as a guide. Your name [person submitting abstract] Your email address Paper or Poster The Title of Your Submission Fred A. One(a), Ethel B. Two(a,b), Ricky C. Three(a), and Lucy D. Four (a,b,*) (a) Institutional affiliation #a, with address... (can include a URL as well) (b) Institutional affiliation #b, with address... (*) Corresponding author. Email: authordfour@institute.edu Keywords: Keyword1, Keyword2, Keyword3... Text of the abstract. [Please use 500 words or less] Notes: 1. The (*) in the author list indicates that this is the author to whom correspondence should be addressed.This may or may not be the same as the person who submits the abstract. 2. The email address of both the corresponding author and the author submitting the abstract must be given. Please note that acceptance of a "paper" to the ECCC7 does not imply automatic acceptance of the paper to the Internet Journal of Chemistry. This will be determined by the editors of the IJC after their independent review, which will shortly follow the conclusion of the conference. Please don't hesitate to ask me any questions you may have about the submission process. Finally, I would like to welcome Dominic Coluccio to the Web Organizing Committee, who is working hard with myself, Chris Lent and Bob Hopkins to help make ECCC7 a success. Robert Q. Topper Chair, ECCC7 Scientific Organizing Committee ECCC7: April 2-30, 2001 ***************************************************************************** Robert Q. Topper, Ph.D. email: topper@cooper.edu Associate Professor of Chemistry phone: (212) 353-4378 School of Engineering fax: (212) 353-4341 The Cooper Union for the Advancement of Science and Art subway: take the 6 to Astor Place 51 Astor Place or the N/R to 8th street New York, NY 10003 and you're there! ***************************************************************************** http://www.cooper.edu/engineering/chemechem/ ***************************************************************************** From chemistry-request@server.ccl.net Fri Jan 19 03:36:31 2001 Received: from lancelot.imb-jena.de (lancelot.imb-jena.de [192.124.248.76]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f0J8aUd12818 for ; Fri, 19 Jan 2001 03:36:31 -0500 Received: (from pineda@localhost) by lancelot.imb-jena.de (SGI-8.9.3/8.8.8) id JAA09437; Fri, 19 Jan 2001 09:36:28 +0100 (CET) From: pineda@imb-jena.de (Felipe Pineda) Message-Id: <10101190936.ZM9434@lancelot.imb-jena.de> Date: Fri, 19 Jan 2001 09:36:28 +0000 In-Reply-To: Sanjoy Bandyopadhyay "CCL:Windows2000" (Jan 18, 4:40pm) References: X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: Sanjoy Bandyopadhyay , chemistry@ccl.net Subject: Re: CCL:Windows2000 Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi Sanjoy! try Power Quest's PartitionMagic. it's commercial but we had good experiences with it. best regards felipe On Jan 18, 4:40pm, Sanjoy Bandyopadhyay wrote: > Subject: CCL:Windows2000 > > Hi, > > I don't know whether this is the right platform to ask this question. > I want to partition the disk in my computer (running Windows2000 in NTFS > file system) to install RedHat Linux. Any help will be appreciated. > > Thanks. > > Sanjoy.. >-- End of excerpt from Sanjoy Bandyopadhyay -- ********************************************************************** * Felipe Pineda,PhD * * Institut fuer Molekulare Biotechnologie * * AG Theoretische Biophysik * * Beutenbergstrasse 11, Jena Vox: +49-3641-65-6491 * * Postfach 100 813, D-07708 Jena, Germany Fax: -6495 * * web: www.imb-jena.de/~pineda * *"In the world predominates the suffering and prevails the injustice"* * G. Garcia Marquez, colombian writer, Lit. Nobel Prize laureat * ********************************************************************** ********************************************************************** * DISCLAIMER: Unless indicated otherwise, everything in this note is * * my personal opinion, not an official statement of my employer * ********************************************************************** From chemistry-request@server.ccl.net Fri Jan 19 03:14:50 2001 Received: from falcon.prod.itd.earthlink.net (falcon.prod.itd.earthlink.net [207.217.120.74]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f0J8Eod12788 for ; Fri, 19 Jan 2001 03:14:50 -0500 Received: from earthlink.net (pool0142.cvx36-bradley.dialup.earthlink.net [216.244.18.142]) by falcon.prod.itd.earthlink.net (EL-8_9_3_3/8.9.3) with ESMTP id AAA11066; Fri, 19 Jan 2001 00:14:38 -0800 (PST) Sender: guest@earthlink.net Message-ID: <3A67F78F.2190C813@earthlink.net> Date: Fri, 19 Jan 2001 00:15:11 -0800 From: "Dr. David N. Haney" Reply-To: haney@hbond.com Organization: Haney Associates X-Mailer: Mozilla 4.72C-CCK-MCD Caldera Systems OpenLinux [en] (X11; U; Linux 2.2.14 i586) X-Accept-Language: en MIME-Version: 1.0 To: CHEMISTRY@ccl.net Subject: ZAP: Electrostatics for Sybyl Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit ZAP: Electrostatics for Sybyl EduSoft, is pleased to announce the immediate availability of Zap 1.00S for Sybyl. Zap is a brand new Poisson-Boltzmann solver written in a collaboration between eduSoft LC and OpenEye Scientific Software (www.eyesopen.com). We are excited to bring new rapid and accurate electrostatics potential calculation capability to the Sybyl user community. We feel that this is a missing piece of the puzzle for many problems in structure-based drug discovery. In some preliminary experiments, we have compared the Zap electrostatic field to the simple CoMFA electrostatic field and found significantly better PLS statistics for the Zap field type. Zap is extremely fast: even fairly complex proteins can be analyzed in a matter of a minute or two. The value of the Poisson-Boltzmann algorithm for describing the electrostatics around proteins has been well reviewed, e.g., Nicholls, A.; Honig, B. Science 1995, 268, 1144-1149. The following capabilities are present in Zap 1.00S: Calculation of Atomic Potentials and Energies from atomic charge, Calculation of 3D Potential Maps for contour display or CoMFA, and Calculation of Solvation Energy (for discrete molecules or as an AutoFill item in the Molecular Spreadsheet). Please visit eduSoft's web site to learn more about ZAP and our other software programs: http://www.edusoft-lc.com/ HINT: logP, 3D hydrophobicity, ligand design, score for docking MOLCONN-Z: molecular connectivity, information indices, analysis of DB search HASL: deconvolute complex 3D problem by assigning values to 3D lattice David N. Haney, Ph.D. haney@hbond.com From chemistry-request@server.ccl.net Fri Jan 19 10:47:18 2001 Received: from mailhub2.shef.ac.uk (mailhub2.shef.ac.uk [143.167.2.154]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f0JFlId15300 for ; Fri, 19 Jan 2001 10:47:18 -0500 Received: from stoat.shef.ac.uk ([143.167.2.1]) by mailhub2.shef.ac.uk with esmtp (Exim 3.16 #1) id 14JdkX-0004tp-00; Fri, 19 Jan 2001 15:46:49 +0000 Received: from li1vg (helo=localhost) by stoat.shef.ac.uk with local-esmtp (Exim 3.14 #2) id 14JdkX-0003rW-00; Fri, 19 Jan 2001 15:46:49 +0000 Date: Fri, 19 Jan 2001 15:46:49 +0000 (GMT) From: Val Gillet X-Sender: li1vg@stoat To: chemistry@ccl.net cc: John Holliday , "Hann, Mike M" , Willett Peter Subject: Shef2001: Registration now open Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Registration for the 2nd Joint Sheffield Conference on Chemoinformatics is now open. If you wish to attend, please visit the web site and fill out your details as directed (cisrg.shef.ac.uk/shef2001). Please note that ensuite accommodation is limited and will be allocated on a first come first served basis. Val Gillet PhD, Dept. Information Studies, University of Sheffield,