[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb]: Link to symmetry related atom in Refmac5



***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

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
HIS-NH2-NI bond.
I put in a LINK command by hand, but it then reports a distance of 30
Angstroms and not suprisingly gets upset.
Thanks
Nick
-- 
Dr Nicholas H. Keep
Department of Crystallography,
Birkbeck College,
University of London,
Malet Street,
LONDON
WC1E 7HX

email     n.keep@mail.cryst.bbk.ac.uk
Telephone 020-7631-6852  (Room 1083 Office)
          020-7631-6868  (Rosalind Franklin Laboratory)
          020-7631-6800  (Department Office)
Fax       020-7631-6803


***************NEW OFFICE FROM 13/2/01**************