The error messages are showing below: ---------------------------------------------- WARNING: Problems reading a PDB file Problems reading a HETATM or ATOM record. According to the PDB specification, columns 77-78 should contain the element symbol of an atom. ----------------------------------------------
Please note that the columns 77-78 in PDB format are optional. Actually, columns 77-78 are usually missed for the hetero atoms (ligands) in PDB database. It would be more applicable to read columns 13-14 for atom name. Shawn ___________________________________________________ 您的生活即時通 － 溝通、娛樂、生活、工作一次搞定！ http://messenger.yahoo.com.tw/ ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
