Dear,
When (trying) to refine a DNA-structure (resolution 2.5) using
Refmac_5.5.0072 (CCP4 6.1.1), some of the H-bonds between Watson-
Crick bases are becoming too large.
Reducing the Matrix weighting term to tighten the geometry, doesn't
effect these H-bond distances much.
Reducing the "VDW SIGMA HBOND" also doesn't solve the problem.
Adding "external distance restraints" does the trick, but some B-
factors (not the ones involved in H-bonding!) blow up completely.
Hence, what's actually the best way of tighten H-bond restraints in
Refmac, or am I overlooking some other issues here..?
Thank you very much.
Regards
Kristof Van Hecke
--------------------------------------
Kristof Van Hecke, PhD
Biomoleculaire Architectuur
Celestijnenlaan 200 F
B-3001 Heverlee (Leuven)
Tel: +32(0)16327477
--------------------------------------
