Dear,
I want to optimize a DNA-helix with the function "Structure
idealisation" in Refmac_5.5.00782 (CCP4_6.1.1).
My question, is this performing just a geometry optimization (against
a library), or is there also an energy-optimization of some kind
involved,..?
And according to the number of cycles (default 10) used, different
structural results are obtained, hence is there a means of estimating
the ideal number of cycles to use..?
Many thanks
Kristof Van Hecke
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Kristof Van Hecke, PhD
Biomoleculaire Architectuur
Celestijnenlaan 200 F
B-3001 Heverlee (Leuven)
Tel: +32(0)16327477
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