Saturday, March 28, 2015

Selecting full residues within a certain distance of another residue or atom in PyMOL

Note to self:

To select all atoms in a residue (plus any HETATMs) that is within 3 Å of any atom in residue 63 type:

select br. all within 3 of resi 63

To select all atoms in a residue (plus any HETATMs) that is within 3 Å of the CA atom in residue 63 type:

select br. all within 3 of 63/CA

If you want to exclude the HETAMS type "pol." (short for polymer) instead of "all".

if you want to name the selection type

select Ala63, br. all within 3 of resi 63



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