OEChem TK 3.3.1¶
Major bug fixes¶
An uninitialized memory issue that could impact the output of correct InChI identifiers based on prior identifier generations has been fixed.
An issue that inadvertently collected enantiomers as equivalent conformers when OEOmegaConfTest conformer tests are in use has been fixed. The behavior of prior releases has been restored for these conformer tests, which results in enantiomers being considered as separate conformers.
An issue where the
OEFastaToMolthe C-terminal residue contained an aldehyde instead of a carboxylic acid has been fixed.
OEBio TK 3.3.1¶
The residue code dictionary used for
OESplitMolComplexhas been updated with new lipid codes.
OESystem TK 3.3.1¶
OEPlatform TK 3.3.1¶
Minor internal improvements have been made.