Skip to content

Bacting 0.5.1
Compare
Choose a tag to compare
@egonw egonw released this 21 Jan 08:41
· 82 commits to main since this release
bacting-0.5.1
8361bc1

DOI

Minor release with JavaDoc updates and some more Java 17 building patches. New functionality includes additional ported CDKDebugManager code from Bioclipse, and a new manager for the Mwmbl search engine API.

Cheminformatics managers

  • perceiveSybylAtomTypes(IMolecule) which returns a String with the list of perceived Sybyl atom types
  • debug(IMolecule) which returns a string representation of the molecule
  • listReaderOptions(IChemFormat)
  • listWriterOptions(IChemFormat)

Search managers

  • mwmbl.search(query) which returns a list of strings of webpage URLs

Full Changelog: bacting-0.5.0...bacting-0.5.1

Assets 2
Loading