Hello - as in the subject line, does anybody know of, or have, code that
will parse (1) a PDB (or mmCIF?) file with a ligand, and (2) the
restraints CIF file used in refinement, and generate a .mol (or .sdf) file?
OpenBabel apparently does not.
I thought the PDB processing tools would, but my collaborator couldn't
find them.
Any pointers welcome. (To save us time.)
Thanks!
Frank
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