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0.4.142

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@keitaroyam keitaroyam released this 21 Jun 22:50
· 17 commits to main since this release
  • prefix-based log file naming when --output_prefix is present
  • Refmacat
    • inherit refmac5 exit code
    • bug fix: include missing dictionary blocks in mmCIF for long residue names
    • bug fix: buffer deadlock on Windows
  • No Refmac refinement in general
    • place hydrogen at nucleus position for EM
  • SPA refinement
    • output normalised maps even when mask not provided
    • no longer writes _Fstats.log
    • fix for too-many chain problem in symmetry expanded models
  • Crystallographic refinement
    • report FOM values per cycle
    • write FWT_nofill to mtz
    • use common Ds
    • use amplitudes for stats if input is amplitude in twinning
  • util geom: --find_links added
  • requires gemmi 0.7.5
  • included in CCP4 9.0.016

Full Changelog: v0.4.131...v0.4.142