[phenixbb] Restraints file for a new amino acid residue

Agnes Thiane Pereira Machado agnes_thiane at hotmail.com
Wed Nov 14 10:18:23 PST 2012













Hi 
        

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

         modified residue. The colosest discussion to our problem is:

        

      
    
        
    http://www.phenix-online.org/pipermail/phenixbb/2010-August/015629.html

    
       

         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
        for 

         the peptide bond with this modified residue?

        

         Agnes

        

        

      
    
    
 		 	   		  
 		 	   		   		 	   		  
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