openchemlib-utils - npm Package Versions

1.7.0 (2021-12-14)

Features

• add getHoseCodesForPath (3584377)

Bug Fixes

• getMF return type (7ac70ea)
• rename SimpleBonds to SingleBonds (d2ff8ed)

1.6.0 (2021-10-14)

Features

• update dependencies (00bae71)

1.5.1 (2021-08-29)

Bug Fixes

• add package description (b1d726b)

1.5.0 (2021-08-04)

Features

• add appendColor in MoleculesDB (bde1b8f)

1.4.0 (2021-08-03)

Features

• appendSmiles text file for Molecules DB (62365c6)

1.3.0 (2021-07-29)

Features

• add fragmentAcyclicSimpleBonds (093b7dc)

Bug Fixes

• toVisualizerMolfile still contained a this (b5c0eb7)
• update dependencies (29a7253)

1.2.0 (2021-05-11)

Features

• add toVisualizerMolfile (3d8ee95)

1.1.0 (2021-05-10)

Features

• add MoleculesDB to store and search molecules (da7cbc9)

1.0.0 (2021-03-24)

⚠ BREAKING CHANGES

Features

• combineSmiles requires to pass OCL (aa9218a)
• getHoseCodesFromDiastereotopicID requires an OCL.Molecule (00b8845)

Bug Fixes

• add openchemlib to peer dependencies (c856127)

0.7.1 (2021-03-24)

Bug Fixes

• use molecule.getOCL where possible (936c791)