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Group deposition: add additonal items like SMILES information to mmcif #253

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tkrojer opened this issue Aug 8, 2019 · 0 comments
Open

Group deposition: add additonal items like SMILES information to mmcif #253

tkrojer opened this issue Aug 8, 2019 · 0 comments
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tkrojer commented Aug 8, 2019

Would be useful to add additional items to mmcif header like for example ligand smiles:
_pdbx_chem_comp_descriptor.descriptor (condition: _pdbx_chem_comp_descriptor.type=SMILES)

See https://www.rcsb.org/pdb/results/reportField.do for full list
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