From owner-chemistry {*at*} ccl.net Mon Nov 21 16:56:00 2005 From: "Roman Garcia nykros : gmail.com" To: CCL Subject: CCL: info about .MOL files needed Message-Id: <-30031-051121155359-4110-7h+0ITqyyx1mi5cFVsm06A[*]server.ccl.net> X-Original-From: Roman Garcia Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Mon, 21 Nov 2005 17:53:54 -0300 MIME-Version: 1.0 Sent to CCL by: Roman Garcia [nykros*o*gmail.com] Thanks for all your responses. The .mol files are very well documented, but It seems I will be reinventing the wheel if I program another parser. I was pointed to OpenBabel, CDK, JOELib and Rosetta. What are your personal experiences with these opensource pakages? JOELib looks pretty inpresive. What kind of performace can i expect > from JAVA libraries? (CDK, JOELib and Rosetta are written in JAVA). Thanks in advance. Roman.