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0.6.2

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@wojdyr wojdyr released this 25 May 17:22
· 1451 commits to master since this release
v0.6.2
3f7b8d7
  • a number of fixes, mostly in topology preparation
  • support for extended (longer) CCD and PDB codes that are about to be introduced by the PDB
  • gemmi-convert: added option to rename a monomer
  • a few changes and additions in cif2mtz, including:
    • anomalous data written as separate rows for F+ and F- is now converted as expected
    • _refln.F_squared_meas is now a synonym for F_squared_meas
  • gemmi-grep: new option --only-tags
  • gemmi-validate: a couple of new checks and options
  • pdb and mmCIF: convert MODRES <-> _pdbx_struct_mod_residue
  • cif.Block: blocks with no name (just data_) used to have the name set to "#", now it's " "
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