Dear Rens,
CCP4i2 now contains a CIF dictionary accumulator, which should help with
handling such problems (note it's also available as standalone to be used via
command line if that's useful). This is used automatically when providing
multiple ligand CIF dictionaries to the Refinement interfac
Dear all,
I was wondering if there was a good way to generate a restraint file for
ligands that are covalently bound to two sites of the same protein. Just to
clarify, the ligand can be viewed as a "bridge" between two residues of the
same protein monomer.
At present, I use JLigand to prepare
