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0.6.0
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@wojdyr wojdyr released this 06 Mar 12:41
· 970 commits to master since this release
v0.6.0
73968c5
  • C++ library is no longer header-only, several function were moved from headers to src/ to make compilation faster
  • major changes in cmake build, requiring now cmake 3.15+
  • improvements in calculating riding hydrogen positions
  • changed again the scheme of automatically assigned subchain names (A-p -> Axp, because PDB software can't handle non-alphanumeric characters there)
  • a function for calculating polarization correction for XDS INTEGRATE.HKL
  • improvements in xds2mtz, converting more data and filling more records in MTZ batch headers
  • added SpaceGroup::change_of_hand_op()
  • various bug fixes and small improvements
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