Hi Ioannis,
You could make a mapping of rank to residue selection and then sort that by
rank. Something like this:
from pymol import cmd, stored
stored.mydict = {}
cmd.iterate("guide", "stored.mydict[rank] = f'///{chain}/{resi}'")
for rank, sele in sorted(stored.mydict.items()):
cmd.iterate(sele, "print(chain, resi, resn, name)")
Cheers,
Thomas
> On Jan 13, 2021, at 10:38 AM, Ioannis G. Riziotis <rizio...@ebi.ac.uk> wrote:
>
> Hello,
>
> Is there any way to iterate over residues by index in the PDB file (not resi,
> but the absolute order of the residues in the pdb). Something like the
> equivalent of ‘rank’ for atoms, but in residue level.
>
> Best,
> Ioannis
>
>
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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