Greetings,
I want to define and display a patch of functionally related atoms on a
protein-- but only the individual atoms of interest, not the entire
residues to which they might belong. Is there a way to select atoms by
their serial number in the PDB file, rather than name or residue
membership? Failing a direct selection, is there another way I can group
multiple, disparate atoms into a single selection?
This is the best I've come up with so far, using residue and name:
To group the following atoms:
ATOM 688 CG ASP A 87
ATOM 689 OD1 ASP A 87
ATOM 690 OD2 ASP A 87
ATOM 1247 OG SER A 157
ATOM 1259 OG1 THR A 159
ATOM 1861 CZ3 TRP A 234
ATOM 1862 CH2 TRP A 234
I give the following four selection commands:
select a87, (resi 87 and name CG,OD1,OD2)
select a157, (resi 157 and name OG)
select a159, (resi 159 and name OG1)
select a234, (resi 234 and name CZ3,CH2)
Which leaves me with with 4 separate selections. What's the most
efficient way to get a single selection or object out of this?
Many thanks in advance,
-Jon Binkley
