openchemlib - npm Package Versions

5.1.2 / 2017-03-08

• fix: Update OCL to 2017_03_03-04_00_41

5.1.1 / 2017-01-30

• fix: Update OCL to 2017_01_28-04_00_45

5.1.0 / 2017-01-27

• feat: add mol.toMolfileV3
• fix: Fixed SVGDepictor setLineWidth() regression.

5.0.0 / 2017-01-13

• remove viewer build
• introduce minimal build
• do not include MoleculeProperties in minimal build

BREAKING CHANGE:

molecule.getProperties() has been removed. new MoleculeProperties(molecule) must be used instead.

4.7.2 / 2017-01-10

• include full dist directory in npm and add require aliases

4.7.1 / 2017-01-10

• SVG depictor: compute string width without canvas for Helvetica. This allows the SVG depictor to be used on Node.js

4.7.0 / 2017-01-05

Update public methods of JSMolecule. This adds a few new methods:

• static double getDefaultAverageBondLength()
• static void setDefaultAverageBondLength(double defaultAVBL)
• int suggestBondType(int atom1, int atom2)
• double calculateTorsion(int[] atom)
• void setBondOrder(int bond,int order)
• int getMetalBondedConnAtoms(int atom)
• int getAllConnAtomsPlusMetalBonds(int atom)
• int getNonHydrogenNeighbourCount(int atom)
• int getExcludeGroupValence(int atom)
• int getLowestFreeValence(int atom)
• int getExplicitHydrogens(int atom)
• boolean isPseudoRotatableBond(int bond)
• boolean isAmideTypeBond(int bond)
• int getZNeighbour(int connAtom, int bond)
• int getHelperArrayStatus()

4.6.3 / 2017-01-04

• update OCL to 2017.1.0

4.6.2 / 2016-11-08

• AtomQueryFeaturesDialog: added more than 2 Hydrogens on query features
• Fix SVGDepictor: minimal bond width is now 1

4.6.0 / 2016-10-25

• add more depictor options and support options in SVG depictor