openchemlib-utils - npm Package Versions

2.1.3 (2022-12-15)

Bug Fixes

• update dependencies (1ca9c69)

Documentation

• improve jsDoc (7c80d68)

2.1.2 (2022-11-28)

Bug Fixes

• split groupedDiastereotopicAtomIDs (#42) (8e1ee5a)

2.1.1 (2022-11-23)

Bug Fixes

• getConnectivityMatrix with pathLength (#44) (0363399)

2.1.0 (2022-11-14)

Features

• add getDiastereotopicAtomIDsFromMolfile (05950e9)
• getDiastereotopicAtomIDsFromMolfile (1bc20c8)

Documentation

• add example of substructure search in wikipedia (c4d27e9)
• add one jsdoc (5a1226b)

2.0.0 (2022-08-15)

⚠ BREAKING CHANGES

• update OpenChemLib to v8.0.0
• remove deprecated function getExtendedDiastereotopicAtomIDs

Features

• null query returns the full DB (4279051)
• update OpenChemLib to v8.0.0 (09c88c4)

Miscellaneous Chores

• remove deprecated function getExtendedDiastereotopicAtomIDs (09c88c4)

1.11.0 (2022-04-19)

Features

• add getAtomFeatures (9ecde24)

1.10.0 (2022-03-25)

Features

• add getPathAndTorsion (8c587c8)
• add options withHOSES (defualt false) to getPathsInfo (1af6b9e)

1.9.0 (2022-02-15)

Features

• add nbOH (27cc29a)
• groups numbers inside molecule (b5fce46)

Bug Fixes

• groups are counted only if they have at least one C or H as neig… (#32) (4f2df84)

1.8.0 (2021-12-14)

Features

• add getHoseCodesForAtoms (b0f2b6b)