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  • Created ticket #246 on Jmol

    fix Optimize

  • Posted a comment on ticket #592 on Jmol

    I see! This works perfectly. Thanks for clearing that up. On Wed, May 17, 2017 at 12:23 AM, Bob Hanson hansonr@users.sf.net wrote: Jmol is doing what it is supposed to do. These values should be in atom.occupancy, not atom.property_occupancy. If you must have them in property_occupancy, then just prior to writing the file, issue: {}.occupancy = {}.property_occupancy so that they get copied to the field that is written to the PDF files as the "occupancy". Same goes for temperature. Bob ​ [bugs:#592]...

  • Created ticket #592 on Jmol

    occupancy and temperature values not written to PDB

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