Skip to content

Improvements and extensions

Latest
Compare
Choose a tag to compare
@mantczak mantczak released this 16 Sep 11:41
· 28 commits to master since this release

Introduced improvements and extensions:

  • an improvement of the parsing of 3D structures of multiple biological molecules stored in a single file,
  • an improvement of the routine used for pairing of atoms during the computation of the RMSD score,
  • an improvement of the process of alignment construction with a better handling of overlapping duplexes,
  • an improvement of the process of identification of feasible partial alignments by heuristic HUNGARIAN_METHOD_DRIVEN_LONGEST_ALIGNMENT_PARTIAL_SOLUTIONS_CONSIDERED,
  • the introduction of the possibility of selection of acceptance criteria that will be used for identification of a potentially better alignment,
  • the extension of a textual description of the descriptor,
  • the introduction of a sequence alignment that is generated as a result of structural comparison of a descriptor pair,
  • the introduction of the support for generation of EBI-inspired, compatible PDB file bundles (tar.gz) in the case of conversion of 3D structures of large biomolecules that are stored in format CIF only.