From chemistry-request@server.ccl.net Wed Sep 19 19:51:15 2001 Received: from sd.accelrys.com ([146.202.0.254]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f8JNpF331071 for ; Wed, 19 Sep 2001 19:51:15 -0400 Received: (from jnauss@localhost) by sd.accelrys.com (8.11.0/8.11.0) id f8JNt2G17894 for chemistry@ccl.net; Wed, 19 Sep 2001 16:55:02 -0700 Received: from jnauss1-pc.accelrys.com (jnauss1-pc.sd.accelrys.com [172.30.51.68]) by sd.accelrys.com (8.11.0/8.11.0) with ESMTP id f8JNt2k17885 for ; Wed, 19 Sep 2001 16:55:02 -0700 Message-Id: <5.1.0.14.0.20010919165013.00aa1860@sparky2.sd.accelrys.com> X-Sender: jnauss@sparky2.sd.accelrys.com X-Mailer: QUALCOMM Windows Eudora Version 5.1 Date: Wed, 19 Sep 2001 16:51:02 -0400 To: chemistry@ccl.net From: Jeff Nauss Subject: Accelrys workshops for Catalyst Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Accelrys will be holding two workshops on pharmacophore generation and 3D database searching using Catalyst. On November 8-9, the "Pharmacophore Generation with Catalyst" workshop will be held at the SGI facility in Mt. View, California. On November 20-21, the same workshop will be held in our office in Cambridge, UK. The "Pharmacophore Generation with Catalyst" workshop is intended to introduce customers to pharmacophore generation and to the Catalyst user interface. Although no prior experience with molecular modeling is needed, a basic understanding of QSAR theory and UNIX would be beneficial. The workshop begins with the basics of the Catalyst interface and builds to simple pharmacophore generation, selection of training sets, and three-dimensional database searching. Methods used within Catalyst for automatic hypothesis generation and manual hypothesis construction will be discussed. Some optimization of training sets and database searching will be covered as well. This workshop provides attendees with the Catalyst-eye view of the structure-activity world that is necessary to best exploit its most useful features. Lectures presenting the methodologies and examples of their application to solve real-world problems will be followed by hands-on/discussion periods during which attendees can work though tutorials or discuss their own work with experts from Accelrys. Fees for the 2-day course in the US are $1000 commercial, $500 government/non-profit, and $400 academic. For the UK workshop, the fees are GBP 700 commercial, GBP 350 government/non-profit, and GBP 280 academic if payment is by purchase order or check. If payment is by credit card, the fees are US$1000 commercial, US$500 government/non-profit, and US$400 academic. Further detailed information about this and other Accelrys training workshops, as well as on-line course registration, can be found at Accelrys' website (http://www.accelrys.com/training/lifesci/schedule.html). Please do not hesitate to contact us should you have any questions. Thank you very much. Jeffrey L. Nauss Tien Luu 858-799-5555 +44 1223 402 895 Chris Arzt 858-799-5340 -- Jeffrey L. Nauss, PhD Phone: (858) 799-5555 Life Science Customer Training Fax: (858) 799-5100 Accelrys E-mail: jnauss@accelrys.com 9685 Scranton Road http://www.accelrys.com/training/lifesci/ San Diego, CA 92121-3752 On June 1, MSI, Synopsys, Oxford Molecular, and GCG became Accelrys. Accelrys is a subsidiary of Pharmacopeia, Inc. From chemistry-request@server.ccl.net Wed Sep 19 20:20:05 2001 Received: from web20408.mail.yahoo.com ([216.136.226.127]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f8K0K5331752 for ; Wed, 19 Sep 2001 20:20:05 -0400 Message-ID: <20010920002004.21663.qmail@web20408.mail.yahoo.com> Received: from [138.23.156.82] by web20408.mail.yahoo.com via HTTP; Wed, 19 Sep 2001 17:20:04 PDT Date: Wed, 19 Sep 2001 17:20:04 -0700 (PDT) From: Don Key Subject: Exceed 3D 6.1 To: chemistry@ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hello, I am a user of software that can be emulated using Exceed and Exceed 3D. However, these pieces of software are very expensive. I hope I am not completely out of line (and I apologize if I am), but I am having a hard time finding funding. We have an SGI that was donated, but with out a monitor. Therefore, I am trying to emulate the openGL. I have found Exceed 6.1, but I also need Exceed 3D 6.1. I would greatly appreciate it if someone could make available to me Exceed 3D 6.1 or any version that you may have. Again, sorry if this in appropriate. Thank you everyone. __________________________________________________ Terrorist Attacks on U.S. - How can you help? Donate cash, emergency relief information http://dailynews.yahoo.com/fc/US/Emergency_Information/ From chemistry-request@server.ccl.net Thu Sep 20 18:13:28 2001 Received: from lauca.usach.cl ([158.170.64.28]) by server.ccl.net (8.11.2/8.11.0) with ESMTP id f8KMDO120594 for ; Thu, 20 Sep 2001 18:13:27 -0400 Received: from lauca.usach.cl ([158.170.51.186]) by lauca.usach.cl (8.10.2+Sun/8.10.2) with ESMTP id f8KMCnA02307 for ; Thu, 20 Sep 2001 18:12:49 -0400 (CLT) Message-ID: <3BAA6978.CBBA3105@lauca.usach.cl> Date: Thu, 20 Sep 2001 18:11:04 -0400 From: Danilo Gonzalez X-Mailer: Mozilla 4.73 [en] (Win98; I) X-Accept-Language: en MIME-Version: 1.0 To: "chemistry@ccl.net" Subject: Docking energy Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi Folks! I have a problem when using Autdock. I have a inhibitor that I experimentally know that interacts with a protein. When I use Autodock it indicate three possible interacting site with the follow energies -10.86, -10.52 and -9.57 kcal/mol. Is this a significant difference? Which is the minimum significant difference between two energies?. Thanks a lot for your help.. Danilo Gonzalez-Nilo University of Santiago of Chile Faculty of Chemistry and Biology Casilla 40, Correo 33, Santiago, CHILE. From chemistry-request@server.ccl.net Thu Sep 20 14:23:57 2001 Received: from mail1.ats.rochester.edu (root@[128.151.224.31]) by server.ccl.net (8.11.2/8.11.0) with ESMTP id f8KINu121721 for ; Thu, 20 Sep 2001 14:23:56 -0400 Received: from ice (ice.chem.rochester.edu [128.151.195.5]) by mail1.ats.rochester.edu (8.11.6/8.11.6) with SMTP id f8KIOhG64225 for ; Thu, 20 Sep 2001 14:24:44 -0400 (EDT) Message-Id: <200109201824.f8KIOhG64225@mail1.ats.rochester.edu> Date: Thu, 20 Sep 2029 14:36:5 -0500 From: wei zhuang To: "chemistry@ccl.net" Subject: where can I get the software "MM3-94"? X-mailer: FoxMail 3.11 Release [cn] Mime-Version: 1.0 Content-Type: text/plain; charset="GB2312" Content-Transfer-Encoding: 7bit Hi,all: could anybody tell me where can I get MM3-94 or some other programs which use MM3 force field? it'd better be a program for academia. regards wei zhuang weiz@mail.rochester.edu From chemistry-request@server.ccl.net Thu Sep 20 12:45:36 2001 Received: from mx3.163.com ([202.108.44.220]) by server.ccl.net (8.11.2/8.11.0) with ESMTP id f8KGjZ106231 for ; Thu, 20 Sep 2001 12:45:35 -0400 Received: by mx3.163.com (Postfix, from userid 60001) id 445C11CC9BC34; Thu, 20 Sep 2001 14:57:35 +0800 (CST) MIME-Version: 1.0 Message-Id: <3BA9935F.17417@bj220.163.com> Date: Thu, 20 Sep 2001 14:57:35 +0800 (CST) From: "dalian-xujun" To: chemistry@server.ccl.net Subject: Ask for help! X-Priority: 3 X-Originating-IP: [202.118.73.68] Hello, Everyone! I am a graduate student of Dalian University of Technology. I met with spome trouble about use VB programme chemistry structure. Somebody may use ISIS draw 2.14--a free software,use it draw structure is very easy and convenient. I am now project a program. and want to know HOW TO CONNECT TO WORD DYNAMICALLY (about picture).Just as ISIS draw 2.14. I am very thankful to receive your help!! my email is dalian-xujun@163.com yours Xujun dalian China . ====================================================================== http://game.163.com/level2/relax.html 娱乐自己－每天休闲小游戏！ http://sports.163.com/cwfootball/ 中国队10强赛 距离世界一步之遥？ http://sms.163.com 用最美的文字表达你对她的感觉 From chemistry-request@server.ccl.net Thu Sep 20 22:16:20 2001 Received: from chem.ufl.edu ([128.227.16.141]) by server.ccl.net (8.11.2/8.11.0) with ESMTP id f8L2GJ103400 for ; Thu, 20 Sep 2001 22:16:20 -0400 Received: from chem.ufl.edu (chem.ufl.edu [128.227.16.141]) by chem.ufl.edu (8.9.1/8.9.1/map) with ESMTP id WAA15521 for ; Thu, 20 Sep 2001 22:16:19 -0400 (EDT) Date: Thu, 20 Sep 2001 22:16:19 -0400 (EDT) From: "Xiang(Simon) Wang" To: CCL Subject: CHARMM Trajectory Analysis Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers: Can someone give me some hints about using COORdinates DYNAmics to calculate the atomic average RMSD? Any help is appreciated. X. Wang