From chemistry-request(+ at +)server.ccl.net Sun Aug 26 02:40:57 2001 Received: from epimetheus.hosting4u.net ([209.15.2.70]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f7Q6evM01096 for ; Sun, 26 Aug 2001 02:40:57 -0400 Received: (qmail 15894 invoked from network); 26 Aug 2001 06:40:57 -0000 Received: from zeus.hosting4u.net (HELO proinformatix.com) (209.15.2.56) by mail-gate.hosting4u.net with SMTP; 26 Aug 2001 06:40:57 -0000 Received: from yersina ([202.138.18.39]) by proinformatix.com ; Sun, 26 Aug 2001 01:40:52 -0500 Reply-To: From: "Sergio Manzetti" To: "Chemistry Discussion G" Subject: AUTODOCK Date: Sun, 26 Aug 2001 16:39:31 -0700 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 V5.00.2919.6700 Hi everyone, I am trying to get a clear idea on how to define a volume in space where the ligand is restricted before starting the docking simulation. Which parameters control these features? Cheers Sergio ____________________________________________________________________________ ___________________________ Sergio Manzetti Research Scholar Centre of Molecular Biotechnology/ Supercomputer Facility Queensland University of Technology 2 George St. BRISBANE 4000 QLD AUSTRALIA email: s.manzetti:~at~:student.qut.edu.au Tlf: +61 7 3864 1434 www: http://www.life.sci.qut.edu.au/html/research/cmgenetics.html www2: http://www.its.qut.edu.au/hpc/