I think Garib or Alexei must answer this and they are both on holiday
till the end of August
Eleanor
juergen J. Mueller wrote:
Dear all,
using refmac5 to provide H-atoms for a known protein structure the
distance between CYS-CG and HG is defined to 1.34 Ang. in CYS.cif.
This distance has been critisiced by a non-CCP4 program
by
* Poor covalent bond length of 1.33954 for hydrogen atom HG.
In an other library-file CSH.cif the same distance is defined to 1.1 Ang.
WHATIF uses 1.0 Ang. What is the most correct one?
Could the CCP4-people comment on this?
(Of course I know hydrogens will not be refined but they are
neccessary for some
modeling programs).
Thank you,
Juergen
