From owner-chemistry@ccl.net Fri Apr 7 10:24:00 2006 From: "Geoffrey Hutchison grh25**cornell.edu" To: CCL Subject: CCL: conversion of sdf to mol files(multiple) Message-Id: <-31453-060407102119-3299-GaoskOICQCQ+LGkfGEtsQw[*]server.ccl.net> X-Original-From: Geoffrey Hutchison Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; delsp=yes; format=flowed Date: Fri, 7 Apr 2006 10:21:05 -0400 Mime-Version: 1.0 (Apple Message framework v749.3) Sent to CCL by: Geoffrey Hutchison [grh25~~cornell.edu] > actually, I am not sure if the "-isdf" or "-omol" is the right > thing but you can check with the list in babel by typing "babel - > m". It should be the abbreviation fir this formate in babel. Open Babel does not have the "-m" menu feature that was in Babel-1.6. Since there are several GUI interfaces to Open Babel, not to mention the -H help flag which lists formats, the "-m" menu feature is superfluous. Remember, there are differences in usage between the old Babel and Open Babel -- these are two different programs. (And yes, in Open Babel, both -isdf and -omol are acceptable formats. Many formats have multiple acceptable file extensions.) Again, there's quite a bit of information about using Open Babel on the website: http://openbabel.sourceforge.net/ And there's a separate e-mail list for questions, concerns, complaints, compliments... https://lists.sourceforge.net/lists/listinfo/openbabel-discuss Cheers, -Geoff -- -Dr. Geoffrey Hutchison Cornell University, Department of Chemistry and Chemical Biology Abruņa Group http://abruna.chem.cornell.edu/