datamol-io / datamol

Molecular Processing Made Easy.
https://docs.datamol.io
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Add `io` functions to read/write PDB file and block #157

Closed hadim closed 1 year ago

hadim commented 1 year ago

https://www.rdkit.org/docs/source/rdkit.Chem.rdmolfiles.html#rdkit.Chem.rdmolfiles.MolFromPDBBlock