[ccp4bb]: unknown ligand

[Peer Mittl <mittl@biocfebs.unizh.ch>]

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Dear Colleagues,

Does anybody know of a systematic method to assign additional electron
density in a binding site to a possible (but so far unknown) ligand
molecule, or is there only the empirical "it looks like as ..."-method. In
principle it should be feasible to place solvent molecules into the
spurious electron density and use this "solvent-molecule" to search a small
molecule databank. Unfortunately I donīt know of any databank that allows
such an approach.

Yours,

Peer