Group tests. - Githubissues

primaryodors / primarydock

PrimaryOdors.org molecular docker.

Other

6 stars 3 forks source link

Group tests. #339

Closed primaryodors closed 11 months ago

primaryodors commented 11 months ago

Unit tests for atom groups.
Unit test for residue groups.
Sequence correction for OR51M1.
Helix 8 with Ballesteros-Weinstein numbering.
Swing6 bug fix.
Improvement for amino acid hydrophilicities.
Best-binding algotithm now favors hydrogen bonding residues for individual pi pnictogens and chalcogens.

All tests succeeding.