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[ccp4bb]: NCS for ligands while running protin
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I am having trouble running protin while enforcing NCS for the coordinated
ligand. I have a trimer for the protein and I have lipoamide in 3 sites. I
inserted lipoamide data into PROTIN.DICT and protin reads this when it runs.
The dictionary file works--I ran protin and refmac IDEALIZE on lipoamide
without a problem. What I don't know is how to enforce NCS on the 3
molecules of lipoamide. The molecules are designated LPM 639, so I tried
NONX card with dummy residues 638 and 640--gave me an error. CHNTYP for the
lipoamides I made NON-protein. Any suggestions? Thanks in advance.