Bugs item #3034025, was opened at 2010-07-24 13:57 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3034025&group_id=40728
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Command-line Tools Group: 2.2.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: mol format does not work with more than 100 atoms Initial Comment: Dear all, When I use openbabel to convert a molecule with more than 100 atoms to MOL format the output file becomes corrupted. The number of atoms and number of bonds get concatenated because there is only 3 digits available for each. Also the bond information gets corrupted with a similar problem. Version 2.2.3, Ubuntu Linux 10.04 32 bits. Attached follows a sample file in XYZ format which can be used to reproduce the problem: babel C78H158.xyz C78H158.mol Then check the 4th line with the number of atoms and bonds as 236235 instead of 236 235 Regards. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3034025&group_id=40728 ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
