[phenixbb] ramachanran plot refinement or restraint?

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Jul 25 17:57:08 PDT 2007

Hi Jianghai,

> I am refining a low resolution huge protein structure.  There are  
> about 20% residues in the disallowed region of ramachandran plot.  Is  
> there a way in phenix.refine to refine the phi, psi angles to get a  
> better ramachandran plot?  or a phi, psi restraints in refinement?

If you add


to the phenix.refine command line the psi and phi dihedral angles
are restraint according to the CCP4 monomer library definitions
in mon_lib_list.cif (run phenix.where_mon_lib_list_cif to get
the full path name). Look for data_link_TRANS and data_link_CIS,
scroll down to _chem_link_tor.value_angle, to see the restraint

We don't have much experience using the phi, psi restraints.
If you don't mind, please let us know how it goes!


More information about the phenixbb mailing list