github marrink-lab/vermouth-martinize v0.9.2

latest releases: v0.10.0, v0.9.6, v0.9.5...
11 months ago

New Features & Updates

  • The citation bib text was added to the README #494
  • Nodes are sorted to group residues unless the Go model is requested #469 & #520
  • A parser to read [ meta ] information on molecules was added to the ff parsers #517
  • Box vectors for coordinates files (.gro/.pdb) are now parsed and exposed #516

Bug Fixes

  • Code coverage reporting is updated to the latest standard #515
  • A DSSP version check was implemented and the DSSP exe can be deleted from CLI again #506

Full Changelog: v0.9.1...v0.9.2

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