Bugs item #1598349, was opened at 2006-11-17 13:22 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=1598349&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: v10.9 Status: Open Resolution: None Priority: 5 Private: No Submitted By: Noel O\'Boyle (baoilleach) Assigned to: Miguel (migueljmol) Summary: Gaussian Cube File incorrect units Initial Comment: Hello Miguel, Bob, I am trying to visualise isosurfaces of cube files which I have generated myself. Jmol's cube file reader assumes that the cube file units are in Bohrs. However, this is only true if the 'number of points' is a negative value. Otherwise, the units are Angstroms (this applies to the units of the origin, as well as the units of the spacing). This is described briefly at http://local.wasp.uwa.edu.au/~pbourke/dataformats/cube/: """ If the sign of the number of voxels in a dimension is positive then the units are Angstroms, if negative then Bohr. """ I think the behavior is undefined if some of the signs of the 'number of voxels' are positive and some are negative (i.e. what units should be used for the origin in that case?). I would very much appreciate if you could fix this. Regards, Noel ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=1598349&group_id=23629 ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
