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SDFs provided by the PDB (Protein Data Bank) have a slightly different format than what RDKit is expecting.
http://www.rcsb.org/pdb/download/downloadLigandFiles.do?ligandIdList=XK2&structIdList=1HVR&instanceType=all&excludeUnobserved=false&includeHydrogens=false
The text was updated successfully, but these errors were encountered:
fixed in rev2503
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Add a workflow for the cartridge work (rdkit#29)
ee6358e
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SDFs provided by the PDB (Protein Data Bank) have a slightly different format than what RDKit is expecting.
http://www.rcsb.org/pdb/download/downloadLigandFiles.do?ligandIdList=XK2&structIdList=1HVR&instanceType=all&excludeUnobserved=false&includeHydrogens=false
The text was updated successfully, but these errors were encountered: