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[ccp4bb]: Link to symmetry related atom in Refmac5
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Does anyone know how you explicitly specify a link to a symmetry related
atom in refmac5.
I request symmetry related links in the GUI and have checked the COM
file is giving the option I expect.
I have two histidines from symmetry related molecules (different side
chain in each case) held together by a nickel ion. Refmac5 reports and
uses the HIS-NH2-NI bond from one histidine, but as far as I can tell
does not report (I do not know whether it therefore uses) the other
I put in a LINK command by hand, but it then reports a distance of 30
Angstroms and not suprisingly gets upset.
Dr Nicholas H. Keep
Department of Crystallography,
University of London,
Telephone 020-7631-6852 (Room 1083 Office)
020-7631-6868 (Rosalind Franklin Laboratory)
020-7631-6800 (Department Office)
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