Skip to content

python-ihm 2.9 release

Latest
Latest

Choose a tag to compare

View all tags
@benmwebb benmwebb released this 22 Jan 19:03
· 1 commit to main since this release
2.9
This tag was signed with the committer’s verified signature.
benmwebb Ben Webb
GPG key ID: F67207CBE6414C85
Verified
Learn about vigilant mode.
6565c01
  • If given a file containing non-polymers but missing the pdbx_entity_nonpoly table, make_mmcif will now reconstruct that table using information from the atom_site table (#177).
  • If given a file containing an empty assembly (containing zero asyms), make_mmcif will now replace it with an auto-generated assembly containing all of the system's asyms (#178).
  • make_mmcif has a new --fix_chem_comp command line flag which if specified will fill in any missing chemical component information (in the chem_comp table) such as type, name, or chemical formula by querying CCD (#179).
  • Bugfix: backslash characters in text fields (such as in SMILES strings) no longer erroneously cause a dictionary validation error (#176).

Full Changelog: 2.8...2.9

Assets 2
Loading