Feature Requests item #1827837, was opened at 2007-11-07 14:14 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=1827837&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: New IO Format Group: None Status: Open Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: Write capability in various formats Initial Comment: Greetings: JMol understands many formats. Wouldn't it be nice to be able to write in these formats also! This would give the ability to translate from one format to another. For crystals, it might mean loading in a unit cell and getting atomic xyz locations in a different format. Regards, Assadullah a s s a d u l l a h at y a h o o . c o m ---------------------------------------------------------------------- >Comment By: Bob Hanson (hansonr) Date: 2007-11-09 08:16 Message: Logged In: YES user_id=1082841 Originator: NO Yes, that would be great. http://chemapps.stolaf.edu/jmol/docs?command=write write coords SPT|XYZ|MOL|PDB "fileName" Writes molecular data to a file determined by the extension (SPT, XYZ, MOL, or PDB). "coords" and the type may be omitted if the filename has a three-letter extension matching one of these types. In the case of XYZ, MOL, and PDB, only selected atoms are saved. In the case of SPT, a script file containing the coordinates of the model. This is useful in the case that one or more of the atoms have been moved using invertSelected, rotateSelected, or translateSelected. This format is also suitable for loading back into Jmol, but only in a simple XYZ-like format, using the load command. However, if the file is read using the script command, then atoms should appear in their new positions. Or were you thinking of something different? Bob Hanson ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=1827837&group_id=23629 ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
