Print

Print


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
>
>