From: Joerg K. W. <we...@in...> - 2005-01-26 13:36:24
|
Hi all, i've released a new JOELib2 version. This version fixes several minor bug fixes for the following topics: - Wrong atom label caching, when deleting atoms - Wrong kekulization, use protonation model - Force aromaticity assignment before checking atom types, otherwise aromatic atoms Car will be only recognized as C2. - Speed-up for loading cached properties from MDLSD import. - Range checking for atom label cache, to ensure correctness. - Forcing modification counter checking, to ensure correctness https://sourceforge.net/project/showfiles.php?group_id=39708&package_id=137589&release_id=300034 Kind regards, Joerg -- Dipl. Chem. Joerg K. Wegner Center of Bioinformatics Tuebingen (ZBIT) Department of Computer Architecture Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany Phone: (+49/0) 7071 29 78970 Fax: (+49/0) 7071 29 5091 E-Mail: mailto:we...@in... WWW: http://www-ra.informatik.uni-tuebingen.de -- Never mistake motion for action. (E. Hemingway) Never mistake action for meaningful action. (Hugo Kubinyi,2004) |