From chemistry-request@server.ccl.net Sat Nov 10 03:17:18 2001 Received: from epimetheus.hosting4u.net ([209.15.2.70]) by server.ccl.net (8.11.6/8.11.0) with SMTP id fAA8HIB12909 for ; Sat, 10 Nov 2001 03:17:18 -0500 Received: (qmail 13851 invoked from network); 10 Nov 2001 08:17:15 -0000 Received: from zeus.hosting4u.net (HELO proinformatix.com) (209.15.2.56) by mail-gate.hosting4u.net with SMTP; 10 Nov 2001 08:17:15 -0000 Received: from yersina ([210.50.61.3]) by proinformatix.com ; Sat, 10 Nov 2001 02:17:10 -0600 Reply-To: From: "Sergio Manzetti" To: "Chemistry Discussion G" Subject: To Giulio Vistoli Date: Sat, 10 Nov 2001 18:22:30 -0800 Message-ID: <000401c16a57$b8ddb0c0$0f93b583@yersina> 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, Build 10.0.2627 Importance: Normal X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2919.6700 Dear Giulio, I have lost your email address. I would like to ask you if you plan to incorporate the classic protein viewing options (ribbon, cartoon etc.) to VEGA? I think this program is exceptional, and would be of great use for my projects...but I just need to visualize the protein in Ribbon preferably. Mille grazie! 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@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/ From chemistry-request@server.ccl.net Sat Nov 10 05:29:22 2001 Received: from jivdhan.unipune.ernet.in ([196.1.114.31]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id fAAATLB15158 for ; Sat, 10 Nov 2001 05:29:21 -0500 Received: from chem.unipune.ernet.in (chem.unipune.ernet.in [196.1.114.10]) by jivdhan.unipune.ernet.in (8.11.1/8.11.1) with ESMTP id fAAAcxW00316; Sat, 10 Nov 2001 16:08:59 +0530 Received: (from gadre@localhost) by chem.unipune.ernet.in (8.9.3/8.8.7) id PAA03848; Sat, 10 Nov 2001 15:58:20 +0530 Date: Sat, 10 Nov 2001 15:58:20 +0530 From: gadre@chem.unipune.ernet.in Message-Id: <200111101028.PAA03848@chem.unipune.ernet.in> To: CHEMISTRY@server.ccl.net Subject: Molecular similarity Cc: gadre@chem.unipune.ernet.in Dear Colleagues : I have a rigourous and efficient method to compare molecular similarity (of small/medium) molecules. It has been benchmarked for a small test data set. Does someone have a set of 10-15 molecules (typically upto 40 atoms each) for which molecular similarity has been worked out by some o method and is also available through some activity/property data? I will appreciate receiving such test data sets. Thanks..................................Shridhar Gadre