wiki:phenix-6-1-23

Version 3 (modified by pett, 2 years ago) ( diff )

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Phenix

  • Command version of fit_loops
  • Sent test case showing 4-processor version 5x slower than one processor
  • Immediate to-dos:
    • Work up test case for fit_loops failing on 2gtk due to residue numbering
    • Document needs for JSON output from fit_loops
  • Randy Read added full-map-only mode for voyager.emplace_local; need to update fit-in-map tool

ChimeraX completed

  • Build Structure
    • Adjust Torsions (also in selection context menu)
    • Adjust Angles
  • Handle Mol2 files that have GAFF types
  • Charge computation falls back to more reliable method if faster method fails (courtesy Tristan)
  • 'Info' commands can save to file
  • Matchmaker
    • More reliably switch to 'sensible' similarity scoring matrix
    • 'reportMatrix' option
  • Made hiding/closing of large numbers of models faster
    • Override Strucure 'display' attribute rather than use CLOSE_MODELS trigger
    • Batch updating of collections
  • Fixed memory leaks
    • Metadata dict keys/values
    • Residues.unique_sequences list append
    • Drawing code holding references to pseudobond groups (not a leak per se)
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