openchemlib-utils - npm Package Versions

5.21.0 (2024-05-22)

Features

• add option allowEmptyMolecule in MoleculesDB (3739662)

5.20.0 (2024-05-21)

Features

• give possibility to configure TopicMolecule to set the maxNbAtoms (88d501c)

Bug Fixes

• an thiol -> a thiol (a5e001c)

5.19.1 (2024-05-14)

Bug Fixes

• TopicMolecule path was not correctly dealing with hydrogens (11f1e61)

5.19.0 (2024-05-14)

Features

• add getHoseFragment on TopicMolecule (455b646)
• getAllAtomsPaths (ee15078)

5.18.0 (2024-05-08)

Features

• Option to specify hose codes min / maxSphereSize in TopicMolecule (8e75bd5)

5.17.0 (2024-05-04)

Features

• add attachedHydrogens in diaIDsAndInfo (e90034c)

5.16.3 (2024-04-16)

Bug Fixes

• DBE hints was inverted (72c263f)

5.16.2 (2024-04-16)

Bug Fixes

• getUnsaturation deals correctly with empty molecules (no MF) (8851d62)

5.16.1 (2024-04-16)

Bug Fixes

• use limited number of elements for unsaturation calculation (54f72f9)

5.16.0 (2024-04-16)

Features

• add hints about unsaturation (be9490b)