Just so that we don't reinvent the wheel: is there any database or webservice on which one can parse the list of residue-ligand interactions for the entire PDB? I'd like to programmatically obtain information such as "in PDB 3hdl the Calcium 306 is in contact with Asp223 or in PDB 5gjb Arg388 is in contact with the phosphate in the nucleic acid chain B". I know this information is available through pdbsum via ligplot/nucplot, but I'm unaware if it is possible to download the entire interaction database and if it is parseable.
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