Feature Requests item #3238524, was opened at 2011-03-23 15:42 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3238524&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: None Group: None Status: Open Priority: 5 Private: No Submitted By: Simon Westrip (publcif) Assigned to: Nobody/Anonymous (nobody) Summary: load molecule Initial Comment: Attached CIF when opened in Jmol 12.1.40 prerelease version does not create a connected molecule for one of the moities - i.e. the CIF bonds include C9-C9(−x+2, −y+2, −z+1) but this bond (and the symmetry-related site C9) does not seem to be rendered, though the 'connected' symmetry-related sites appear (thus forming two partial molecules - missing the connecting atom). Is there any way round this? ---------------------------------------------------------------------- >Comment By: Bob Hanson (hansonr) Date: 2011-03-31 11:53 Message: Not in this case. It's a polymeric molecular solid, like diamond, not a set of molecules. So no matter how you do it, you would have to clip it somewhere. In this case, Jmol simply delivers the atoms as they are listed in the CIF file. I'm having trouble installing Mercury, or I would check how they handle this. ---------------------------------------------------------------------- Comment By: Simon Westrip (publcif) Date: 2011-03-29 05:40 Message: Thank you for foxing this. I have a similar problem with the attached CIF (wm2328d.cif) where a naphthalene ring is 'divided' by symmetry. Could the 'molecular view' be enhanced to handle such cases? Cheers Simon ---------------------------------------------------------------------- Comment By: Bob Hanson (hansonr) Date: 2011-03-23 21:01 Message: make that just 12.1.41 -- this molecular load of CIF files is not part of 12.0. ---------------------------------------------------------------------- Comment By: Bob Hanson (hansonr) Date: 2011-03-23 21:01 Message: this is a bug, not a feature request. Fixed for Jmol 12.1.41 and 12.0.37 ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3238524&group_id=23629 ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
