Is it possible to pick all the neigbour residues atoms/residues within mentioned A° of the 'CA' atom is some resudue?
Dear All,
As I can see this from the following link:
https://salilab.org/modeller/9v2/manual/node220.html.
We can able to pick all the atoms within mentioned A° by this following commend:
# Pick and superpose all atoms within 6 angstroms of the 'CA' atom in residue '10:': atmsel = mdl.atoms['CA:10'].select_sphere(6.0) atmsel.superpose(mdl2, aln)
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?
I hope its understandable.
Thanking you in advance
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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Mahesh Velusamy -
Modeller Caretaker