23 Jun
2016
23 Jun
'16
7:37 a.m.
Dear All,
If anyone knows how to use this two commends . Could you tell me the arguments to pass and some example which would be really helpful.
selection.extend_by_residue() -- extend selection by residue selection.by_residue() -- make sure all residues are fully selected
For example: I selected particular region of atoms for optimization following this commend: sI=selection(mdl1.atoms['CA:'+respos+':'+chain].select_sphere(10))
Then , I selected the residues which has single atom in selction through this commend.
s = sI.extend_by_residue(pick_hot_cutoff=12)
And , I want to do the same with selection.extend_by_residue() but I got stuck with arguments for this commend.
Thanking you in advance