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[Agree with Roger re: cif libs] If I may add a Coot tip, I'd recommend Extensions -> Modelling -> Add Other Solvent Molecules which make such operations somewhat more slick. Paul. On 02/08/10 16:13, Roger Rowlett wrote: > Rex, > > Glycerol should be a Refmac-recognized ligand. If you use the > File...Get Monomer option of Coot to add glycerol to your molecule > with the appropriate three-letter code (GOL) then Refmac should be > able to recognize it and utilize the proper geometric constraints. We > do this with other ligands like bicarbonate (BCT) and citrate (CIT) > and I don't recall having to manually read in any .cif libraries for > these standard ligands. > > Cheers. > > On 8/2/2010 11:03 AM, Rex Palmer wrote: >> Our protein includes several glycerols which have been added to the >> pdb file. We understand that any required (geometric or >> other) restraints have to be specified to Refmac in the refinement >> library. Can someone please provide the instructions for how to >> include these specifications? >> Rex Palmer >> Birkbeck College > -- > ------------------------------------------------------------------------ > Roger S. Rowlett > Professor > Department of Chemistry > Colgate University > 13 Oak Drive > Hamilton, NY 13346 > > tel: (315)-228-7245 > ofc: (315)-228-7395 > fax: (315)-228-7935 > email: [log in to unmask]