This release has a few important usability features:
- Support for citations from the data files, which make martinize2 print the relevant citations.
- Make the -nter and -cter CLI flags only affect protein residues. This does mean that non protein molecules don't get their termini patched automatically.
In addition, there are a number of bug fixes:
- Fixed a bug in the ISMAGS symmetry detection.
- Fix #311.
- Change CI to Github actions.
- Fix #317, which sometimes triggered DSSP errors when one of the terminal oxygens is missing.
- Fix issues where resids from the PDB file were ignored when itp files are used as input forcefield.
- Fix #354 which would trigger if there were multiple unknown modifications in a residue.