From chemistry-request@server.ccl.net Sat Sep 28 11:03:00 2002 Received: from chemaxon-102 ([81.0.68.25]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g8SF30v08804 for ; Sat, 28 Sep 2002 11:03:00 -0400 Received: from chemaxon.com ([192.168.1.33]) by chemaxon-102 with Microsoft SMTPSVC(6.0.2600.1); Sat, 28 Sep 2002 17:02:44 +0200 Message-ID: <3D95C494.5070306@chemaxon.com> Date: Sat, 28 Sep 2002 17:02:44 +0200 From: Ferenc Csizmadia Organization: ChemAxon User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-US; rv:1.0.1) Gecko/20020823 Netscape/7.0 X-Accept-Language: en-us, hu, zh MIME-Version: 1.0 To: Iain Wallace CC: CCL Subject: Re: CCL:2D pictures/structure generator References: <000c01c2656a$f8620f70$626ce286@wallaceiwork> Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-OriginalArrivalTime: 28 Sep 2002 15:02:45.0009 (UTC) FILETIME=[19C97810:01C26700] Iain Wallace wrote: > 1) Does any one know of a free program that convert molecules in > smiles format ( or some other format) into a picture, using a command > line for windows. I want to create an excel spreadsheet with a picture > of each of my molecules, by using a simple script. You can use MolConverter to generate PNG, JPG, SVG, etc. images from SMILES, Molfile, SDfile, etc. input. This application is a part of the Marvin Beans package written in Java. MolConverter is free for academic and home users. http://www.chemaxon.com/marvin/doc/molconvert.html You can download Marvin Beans at our web site. Regards, Ferenc -- Dr. Ferenc Csizmadia ChemAxon Ltd. http://www.chemaxon.com From chemistry-request@server.ccl.net Sun Sep 29 17:04:28 2002 Received: (from root@localhost) by server.ccl.net (8.11.6/8.11.0) id g8TL4S319644 for chemistry@server.ccl.net; Sun, 29 Sep 2002 17:04:28 -0400 Received: from C1353359A ([12.228.2.188]) by rwcrmhc53.attbi.com (InterMail vM.4.01.03.27 201-229-121-127-20010626) with SMTP id <20020929160735.RWDM15492.rwcrmhc53.attbi.com@C1353359A> for ; Sun, 29 Sep 2002 16:07:35 +0000 Reply-To: From: "Mark Thompson" To: chemistry@ccl.net Subject: Free software to generate 3D protein structure from sequence? Date: Sun, 29 Sep 2002 09:05:33 -0700 Message-ID: <000501c267d2$0a9e8830$0300a8c0@attbi.com> I'd like to find out about free software for generating 3D protein structures from sequence data, possibly using existing crystal structures of homologous proteins for refinement. Thanks in advance. I'll summarize what I find out. Mark ================================= Mark Thompson, Ph.D. Planaria Software PO Box 55207 Seattle, WA 98155 http://www.arguslab.com FAX: 206-440-3305 =================================