Bugs item #1221478, was opened at 2005-06-15 15:48 Message generated for change (Settings changed) made by migueljmol You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1221478&group_id=23629
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: File Input/Output Group: None >Status: Closed Resolution: None Priority: 5 Submitted By: dcaffrey (dcaffrey) Assigned to: Miguel (migueljmol) Summary: incorrect bonds Initial Comment: If you load pdb 1A5Z in to Jmol, the number of bonds between cadmium and ASP 168 is incorrect. ---------------------------------------------------------------------- Comment By: Miguel (migueljmol) Date: 2005-07-28 12:54 Message: Logged In: YES user_id=1050060 Can this bug be closed? ---------------------------------------------------------------------- Comment By: Miguel (migueljmol) Date: 2005-06-15 21:53 Message: Logged In: YES user_id=1050060 If bond connectivity is in the file then Jmol respects what is in the file. If no bond information is in the file then Jmol will apply a general bonding algorithm. Bonds constructed by Jmol are always single bonds. PDB files rarely specify connectivity between atoms using CONECT records. For PDB files in particular it would be very difficult to calculate bonding because there generally are no hydrogen atoms. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1221478&group_id=23629 ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
