Hi Kristof -
I think that you are overlooking at the fact that you do not know what
the hydrogen bond lengths are between the base pairs.
You should make sure that the covalent geometry is correct (tighten or
loosen the matrix as you do!) and then when you
have a well refined structure, analy
Hi Kristof
AFAIK there's no attractive H-bond term in Refmac, only a repulsive one,
and even that is probably between the N/O atoms not between the H atoms
themselves, which only 'ride' on their parent atoms (again this is to my
knowledge). This is all related to the fact that H atoms don't scatt
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 "
