Re: [modeller_usage] Is it possible to pick all the neigbour residues atoms/residues within mentioned A° of the 'CA' atom is some resudue?

On 6/23/16 1:55 AM, Mahesh Velusamy wrote: > atmsel = mdl.atoms['CA:10'].select_sphere(6.0) > > Where, What I have understood is: It picks atoms that comes within > mentioned A° and not all the atoms of matched residues that comes in the > mentioned A° > > So, Here I want to know that Is it possible to pick all the neigbour > residues atoms within mentioned A° of the 'CA' atom is some resudue?

Sure, just extend the selection by residue, i.e.

atmsel = mdl.atoms['CA:10'].select_sphere(6.0).by_residue()

This will select all atoms in any residue that has at least one atom within 6.0 angstroms of your original CA atom.

Ben Webb, Modeller Caretaker