wiki:phenix-9-27-23

Version 1 (modified by Eric Pettersen, 2 years ago) ( diff )

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Phenix

Fit Loops Improvements

  • Use JSON output
  • Reworked command to use atom spec instead of chain ID and start/end residue numbers
    • Warn if spec selects nothing
  • Reported (additional) fit-loops bugs:
    • JSON option not working
    • JSON output includes null results
    • Chain ID w/o start/end res numbers does whole structure
    • Python IndexError into solution list
    • Phenix's Python 3.10 build basically doesn't work
      • Same problem as ChimeraX had: automatic type conversion to C/C++ disabled
  • Preliminary results-viewer tool

ChimeraX completed

  • Updated programming tutorial to mention UI convenience classes
    • Data lists/menus (*e.g.* StructureList)
    • Remember-able options (*e.g.* FontOption)
    • Python-data tables
  • Allow specifying chain association along with UniProt fetch
  • Can now invert selection just in models with selections (+ arrow key support)
  • IUPAC fetch
  • Context-menu entry to focus on residue in sequence viewer
  • Use HyperKitty search of mailing-list archives instead of Google search
  • Make name column in Model Panel wider when names are long, and show tooltip for long names
  • Use C4' for sequence RMSD when appropriate
  • Allow setting all alt locs at once in Altloc Explorer
  • Suppressed asking for format when open .cif files
  • Improve variability of model colors past builtin set
  • Added looping control to playback slider
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