[ccp4bb] Building NCS mate in Coot
Hi While building from scratch in Coot (3A resolution), if I can supply NCS operators in CCP4 format, is it possible to display NCS related molecules in the same way as crystallographic symmetry related ones? External scheme script is fine if that is the way.. (I worked out the operators using NCS6D and IMP (Uppsala) and refined it in DM.) Regards, Partha -- MRC National Institute for Medical Research Division of Molecular Structure The Ridgeway, NW7 1AA, UK Email: [EMAIL PROTECTED] Phone: + 44 208 816 2515
Re: [ccp4bb] Building NCS mate in Coot
Partha Chakrabarti wrote: While building from scratch in Coot (3A resolution), if I can supply NCS operators in CCP4 format, is it possible to display NCS related molecules in the same way as crystallographic symmetry related ones? External scheme script is fine if that is the way.. Yes. If you are using strict NCS, you can use mtrix-to-ncs-matrix.awk to add strict NCS matrices (from your MTRIX cards in the pdb file (it uses add-strict-ncs-matrix). Then use Cell Symmetry - Symmetry by Molecule - Display Near Chains. See the Using Strict NCS section in the Coot User Manual. http://www.ysbl.york.ac.uk/~emsley/coot/doc/chapters/user-manual_4.html#SEC70 If you are using non-strict NCS, add-ncs-matrix is what you want. http://www.ysbl.york.ac.uk/~emsley/coot/mbox-2006/0534.html Paul.
