From chemistry-request@server.ccl.net Thu Mar 21 13:06:41 2002 Received: from mxout2.cac.washington.edu ([140.142.33.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2LI6fp19601 for ; Thu, 21 Mar 2002 13:06:41 -0500 Received: from mailscan-out1.cac.washington.edu (mailscan-out1.cac.washington.edu [140.142.32.17]) by mxout2.cac.washington.edu (8.12.1+UW01.12/8.12.1+UW02.01) with SMTP id g2LI6VFJ014223 for ; Thu, 21 Mar 2002 10:06:35 -0800 Received: FROM mailhost1.u.washington.edu BY mailscan-out1.cac.washington.edu ; Thu Mar 21 10:06:31 2002 -0800 Received: from donald (borg.chem.washington.edu [128.95.128.134]) by mailhost1.u.washington.edu (8.12.1+UW01.12/8.12.1+UW02.01) with SMTP id g2LI6UgK007248 for ; Thu, 21 Mar 2002 10:06:30 -0800 From: "Carsten Detering" To: "ChemistryList" Subject: delphi for autodock Date: Thu, 21 Mar 2002 18:51:46 +0100 Message-ID: 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-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) Importance: Normal X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2615.200 Dear fellow CCLers, I am interested in using Delphi (InsightII) for generating electrostatic maps for AutoDock. However, when I try to generate the grid in InsightII, I cannot change the point_spacing for the grid solution without also changing the points_per_axis. These two values seem to be somehow connected. Could anyone point out to me, how I can generate a grid that has the same size as my grid produced by autogrid (60 60 60 and 0.375 grid spacing)? And, has anyone got a script that converts Delphi grids into autodock grids? THis question was asked before by someone else, but I couldn't find an answer. Thanks a lot in advance, Carsten ------------------------ Carsten Detering, Ph.D. University of Washington Seattle, WA 98195 Phone: 206 543 5081 email: detering@u.washington.edu