Bugs item #2108857, was opened at 2008-09-13 13:36 Message generated for change (Tracker Item Submitted) made by Item Submitter You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=2108857&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: Algorithms Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: dan (danwilson4) Assigned to: Miguel (migueljmol) Summary: Incorrect symmetry ops for Space Group P 63 m c Initial Comment: The symmetry operations Jmol uses for space group 'P 63 m c' are incorrect. It seems that the rotation matrices are correct, but the translation components are wrong. Compare Jmol's operations with those from the Bilbao Crystallography Server: http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-getgen?list=show&what=gp&gnum=186 I've attached a CML file which illustrates this issue. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=2108857&group_id=23629 ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
