MOL-files support - Githubissues

EPiCs-group / epic-mace

Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.

GNU General Public License v3.0

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Open IvanChernyshov opened 3 years ago

IvanChernyshov commented 3 years ago

Implement Complex.ToMOL method and ComplexFromMolFile function. Seems more convenient than XYZ-files.