On 07/12/2012 10:43, Appu kumar wrote:
Dear Users,
I am refining a enzyme structure with ligand.
I want to make the simulated annealing omit map of ligand including
with 4 Angestron radius around the ligand. I am seeking your valuable
advice to help me out. I know how to make omit map but i have not come
accross making simmulated annealing omit map.
There is a tutorial on how to do this with CNS:
http://cns.csb.yale.edu/v1.2/
In the tutorial section look for:
Reducing model bias with the composite omit map
<http://cns.csb.yale.edu/v1.2/tutorial/phasing_mr/composite_map/text.html>
However, I found this more useful:
Calculating a cross-validated sigma-A weighted electron density map
<http://cns.csb.yale.edu/v1.2/tutorial/phasing_mr/model_map/text.html>
Wai
--
Yu Wai Chen, PhD........................................Lecturer
King's College London, Randall Division +44-207-848-8206
New Hunt's House, Guy's Campus, London SE1 1UL, U.K.
