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[ccp4bb]: unknown ligand
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Peer Mittl writes:
> 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.
This is a well-established method
Hamlet: Do you see yonder cloud that's almost in shape of a camel?
Polonius: By the mass, and 'tis like a camel, indeed.
Hamlet: Methinks it is like a weasel.
Polonius: It is backed like a weasel.
Hamlet: Or like a whale?
Polonius: Very like a whale.
William Shakespeare (1564 - 1616), "Hamlet", Act 3 scene 2