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@fgrunewald fgrunewald released this 05 Apr 15:02
· 508 commits to master since this release
v1.3.0
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This release implements some small bug fixes, API updates, library updates, and new sequence file parsers.

Library Updates:

  • polyply now features Martini2 ssDNA #154
  • parmbsc1 charges for DT3 were updated see below
  • the 2016H66 now features polymer parameters for PMAM (Polymethacrylamide) and PEGylated acrylates
  • 2016H66 PS pairs and exclusions were updated to be more consistent with the GROMOS variant

Bug Fixes:

  • the from block method in MetaMolecule is working again; fixes #178
  • the DT3 residue in parmbsc1 DNA now has correct charges; fixes #199
  • the persistence length module now raises a warning only on the sub-sampled end-to-end distances; fixes #203
  • the persistence length module now correctly computes the end-to-end distance restraint also for branched molecules within the usual limitations; fixes #202
  • missing pair interactions were added to PMMA between CH3 and the ester carbonyl oxygen

API Updates:

  • polyply now features additional input parsers for sequence files namely plain, fasta, and ig files

Dependency Updates:

  • Polyply requires martinize v0.7.3
  • Polyply now runs with the latest version of pytest (#188)
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