[modeller_usage] How to select rigid restraints with certain residues ?

["Mahesh Velusamy" <>]

Dear All,

Actually, I try to do optimization on set of selected atoms with random
deviation 100 . Then later I realized that I cant keep random deviation
more than 0.5 for following these residue (HIS,TRY,TYR,PHE) and I have PHE
and HIS in my selected set.

So , I decided to keep the atoms of HIS,PHE as rigid by following these
commends:

s=selection(mdl1.atoms['CA:'+respos+':'+chain].select_sphere(10))#selected
set for optimization
r = rigid_body(selection(s).only_residue_types('HIS,TYR,TRP,PHE'))# By
this I select atoms of HIS,PHE from selected set to keep rigid
mdl.restraints.rigid_bodies.append(r)

But, This doesn't work So could you tell me how to select atoms of
(HIS,TYR,TRP,PHE) residues from selection to make rigid ?


Thanking you in advance