[ccp4bb]: Metal Ligand

[Abhinav Kumar <akumar@u.washington.edu>]

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Hi

I have solved a structure containing a Cobalt ion with a 2.8 A data set.
There are 10 copies of the molecule in the ASU. The metal ligands with
three protein atoms and one water. I am using refmac5 to refine the
structure and have specified metal ligation by LINK records in the pdb
coordinate file. I understand that the LINK record allows one to specify
the ideal distance. I would like to know if there is a way to specify
the individual bonding restraints for the Cobalt ligand atoms. I observe
that water moves much more than protein atoms from subunit to subunit
within the asu.

 
Thanks
abhinav
___________________________________________________________________________
Abhinav Kumar, PhD              Phone (206) 685 7047
University of Washington        Fax   (206) 685 7002
Health Sciences Center, K-428   akumar@u.washington.edu
Box 357742, Seattle, WA-98195  
http://www.bmsc.washington.edu/people/kumar
___________________________________________________________________________