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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
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