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* First version of pdb_chemical_components_rdkit.py written and tested.
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* deals with basic setup of the rdkit molecule.
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* Tested by comparison of the inchikey from rdkit with that from the PDB CCD cif - this works for the limited number of test cases used so far, with the exception of HEM.
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* Next stage is to extend the class to do something - in the first instance write a sdf file [:pen_fountain: link to be added!]() |
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* Next stage is to extend the class to do something - in the first instance write a sdf file, see [use RDKit to write sdf file for PDB CCD](rdkit-sdf-for-ccd) |
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