Wasnt there recently a similar discussion(?):
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Maybe try JLigand (www.ysbl.york.ac.uk/mxstat/)
B
> Hi all,
>
> I need to create a cif file for a new ligand that does not exist in
> the pdb, so far. Normally refmac created such a cif file when I merged
> the ligand to the structure, but this time it stops with a "fatal
> error". I think the alternatives are "sketcher" and the prodrg server.
> Can anybody tell me if I have to define the geometric restraints by
> myself, or is it possible to take just the output files and put them
> into refmac.? And if I have to define the geometric restraints, how to
> do this?
>
> Thanks,
>
> Paul
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