From chemistry-request;at;ccl.net Fri Nov 7 16:29:44 2003 Received: from mailgate.tripos.com (mailgate.tripos.com [192.160.145.7]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hA7LTDVc025149 for ; Fri, 7 Nov 2003 16:29:13 -0500 Message-ID: From: "Paul Hawkins" To: "Katie Doucet" , "CCL" Date: Fri, 7 Nov 2003 16:28:56 -0500 Subject: RE: Sybyl for LINUX 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-MimeOLE: Produced By Microsoft MimeOLE V5.50.4925.2800 In-Reply-To: <1068218968.3fabba5845e95.-at-.webmail.mta.ca> Importance: Normal X-Spam-Status: No, hits=-0.4 required=7.0 tests=IN_REP_TO,MSGID_GOOD_EXCHANGE,PRIORITY_NO_NAME version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Katie, In the 6.9.1 release of SYBYL (on Linux or IRIX) there is a command in the Biopolymer module "Load Charges". This allows you add charges from a variety of charge treatments for both the protein and any bound ligand/cofactors etc. Paul Hawkins Applications Scientist Tripos Inc 1699 South Hanley Road St. Louis MO 63144 Ph: 617-899-4151 E-mail: phawkins.-at-.tripos.com www.tripos.com -----Original Message----- From: Computational Chemistry List [mailto:chemistry-request.-at-.ccl.net]On Behalf Of Katie Doucet Sent: Friday, November 07, 2003 10:29 AM To: CCL Subject: CCL:Sybyl for LINUX I was wondering if there was such a thing a Sybyl for LINUX fo the prupose of adding partial atomic charges to a pdb file? If so how does one go about gettting it? thanks K.Doucet -= This is automatically added to each message by the mailing script =- To send e-mail to subscribers of CCL put the string CCL: on your Subject: line and send your message to: CHEMISTRY.-at-.ccl.net Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST.-at-.ccl.net HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs If your mail is bouncing from CCL.NET domain send it to the maintainer: Jan Labanowski, jkl.-at-.ccl.net (read about it on CCL Home Page) -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+