From chemistry-request@ccl.net Fri Apr 30 03:37:14 2004 Received: from sainfoin.extra.cea.fr (sainfoin.extra.cea.fr [132.166.172.103]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i3U8bCkh014654 for ; Fri, 30 Apr 2004 03:37:13 -0500 Received: from araneus.saclay.cea.fr (araneus.saclay.cea.fr [132.166.192.110]) by sainfoin.extra.cea.fr (8.12.10/CEAnet-Internet.3.0) with ESMTP id i3U8cfbe010848 for ; Fri, 30 Apr 2004 10:38:41 +0200 (MEST) Received: from nenuphar.saclay.cea.fr (unverified) by araneus.saclay.cea.fr (Content Technologies SMTPRS 4.3.12) with ESMTP id ; Fri, 30 Apr 2004 10:38:41 +0200 Received: from llb.saclay.cea.fr (llb.saclay.cea.fr [132.166.17.100]) by nenuphar.saclay.cea.fr (8.12.10/CEAnet-Internes.3.0) with ESMTP id i3U8cfSw009436; Fri, 30 Apr 2004 10:38:41 +0200 (MEST) Received: from [132.166.18.220] (llb1220.saclay.cea.fr [132.166.18.220]) by llb.saclay.cea.fr (8.12.10/jtpda-5.3.2) with ESMTP id i3U8ccFb007820 ; Fri, 30 Apr 2004 10:38:39 +0200 (MEST) In-Reply-To: <40901E88.5060709$at$alumni.unav.es> References: <40901E88.5060709$at$alumni.unav.es> Mime-Version: 1.0 (Apple Message framework v613) Content-Type: text/plain; charset=ISO-8859-1; format=flowed Message-Id: Cc: chemistry$at$ccl.net From: Konrad Hinsen Subject: Re: CCL:FREE SOFTWARE Date: Fri, 30 Apr 2004 10:38:46 +0200 To: Miguel Romero X-Mailer: Apple Mail (2.613) X-Spam-Status: No, hits=0.1 required=7.5 tests=SUBJ_FREE_CAP autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id i3U8bEkh014660 On Apr 28, 2004, at 23:13, Miguel Romero wrote: > This is the first time I write to the CCL. I am starting a new > molecular modeling project in a new research group. I've used > comercial modeling software for many time but now I have to switch to > something else, preferably a FREE or reasonably priced software. I > > I am going to work with ligand-protein complexes and I need > manipulation software, doking and molecular mechanics (geometry > optimization and molecular dynamics) software. It can work under linux > or windows sistems. Have a look at http://dirac.cnrs-orleans.fr/MMTK/ You probably have to write some code yourself (docking for example), but that should be easy given that a lot of support code is there. --------------------------------------------------------------------- Konrad Hinsen Laboratoire Lion Brillouin, CEA Saclay, 91191 Gif-sur-Yvette Cedex, France Tel.: +33-1 69 08 79 25 Fax: +33-1 69 08 82 61 E-Mail: hinsen$at$llb.saclay.cea.fr ---------------------------------------------------------------------