[phenixbb] Restraints file for a new amino acid residue

Agnes Thiane Pereira Machado agnes_thiane at hotmail.com
Wed Nov 14 10:07:40 PST 2012


         We are trying to refine a protein structure with a (covalently)

         modified residue. The colosest discussion to our problem is:




         We ran:


        phenix.elbow --residue SSC ourmodel.pdb
         And read the due cif file at phenix refinement. The residue by itself is OK, but we were 

         not able to perform the peptide bond between C and N.

        How to complete the .cif file such that it has due restraints

         the peptide bond with this modified residue?





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