From chemistry-request@server.ccl.net Thu Mar 27 03:38:45 2003 Received: from shiva.jussieu.fr ([134.157.0.129]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h2R8cie14000 for ; Thu, 27 Mar 2003 03:38:44 -0500 Received: from as2100.itodys.jussieu.fr (as2100.itodys.jussieu.fr [134.157.24.23]) by shiva.jussieu.fr (8.12.8/jtpda-5.4) with SMTP id h2R8cfZC011944 for ; Thu, 27 Mar 2003 09:38:42 +0100 (CET) Date: Thu, 27 Mar 2003 09:38:40 +0100 Message-Id: <03032709384090@itodys.jussieu.fr> From: petitjean@itodys.jussieu.fr To: chemistry@ccl.net Subject: CCL:Re: How to calculate the molecular similarity X-VMS-To: SMTP%"chemistry@ccl.net" X-Antivirus: scanned by sophie at shiva.jussieu.fr To: CCL Subject: CCL:Re: How to calculate the molecular similarity CSR, which is based on a geometric method, is downloadable from: http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#CSR It performs a 3D alignment and extracts the common 3D motif. Michel Petitjean, Email: petitjean@itodys.jussieu.fr ITODYS (CNRS, UMR 7086) ptitjean@ccr.jussieu.fr 1 rue Guy de la Brosse Phone: +33 (0)1 44 27 48 57 75005 Paris, France. FAX : +33 (0)1 44 27 68 14 http://petitjeanmichel.free.fr/itoweb.petitjean.html >Dear cclers, > >Can someone here like to recommend me some methods to >calculate the molecular quantum similarity, and to >give me some suggestions on the molecular alignment of >two or more molecules? > >Thank you very much in advance! > >Sincerely yours, >Jinsong Zhao