From chemistry-request _-at-_)server.ccl.net Tue Jun 11 04:19:48 2002 Received: from mailstudenti.unimi.it ([159.149.10.4]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g5B8Jmk11923 for ; Tue, 11 Jun 2002 04:19:48 -0400 Received: from smtp.unimi.it (smtp.unimi.it [159.149.10.3]) by mailstudenti.unimi.it (iPlanet Messaging Server 5.1 (built May 7 2001)) with ESMTP id <0GXJ00G8W8F7R6 -A_T- mailstudenti.unimi.it> for chemistry -A_T- ccl.net; Tue, 11 Jun 2002 10:18:43 +0200 (MEST) Received: from Villa (villa.farma.unimi.it [159.149.79.66]) by smtp.unimi.it (iPlanet Messaging Server 5.1 (built May 7 2001)) with SMTP id <0GXJ00G7A8F8RN \\at// smtp.unimi.it> for chemistry \\at// ccl.net; Tue, 11 Jun 2002 10:18:44 +0200 (MEST) Date: Tue, 11 Jun 2002 10:21:25 +0200 From: Giulio Vistoli Subject: Re: CCL:Preparing Mol2 files for DOCK To: Michael Ivery , chemistry -A_T- ccl.net Message-id: <000d01c21120$fa94b2f0$424f959f- at -Villa> Organization: =?iso-8859-1?Q?Universit=E0_di_Milano?= MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 X-Mailer: Microsoft Outlook Express 6.00.2600.0000 Content-type: text/plain; charset=iso-8859-1 Content-transfer-encoding: 7BIT X-Priority: 3 X-MSMail-priority: Normal References: In order to convert pdbq files conserving the atomic charges you can use our program VEGA (http://users.unimi.it/~ddl) that it can convert a lot of file formats assigning atomic charges and atom types. Best regards Giulio Vistoli ------- Giulio Vistoli Istituto di Chimica Farmaceutica e Tossicologica Viale Abruzzi, 42 I-20131 Milano Italia Tel. +39-02-50317522 Fax +39-02-50317565 giulio.vistoli: at :unimi.it http://users.unimi.it/~ddl