Dear Nick,
Thank you very much for your quick reply. Indeed, “or” worked very nicely!
phenix.polder model.pdb sf.mtz selection="resseq 111 or resseq 222"
However, it escapes my understanding why
phenix.polder model.pdb sf.mtz selection="resseq 111 and resseq 222"
does not work equally well.
Nevertheless, “or” does the trick!
Many thanks,
Eike
Hi,
Assuming it uses the standard phenix syntax you should be able to string together a series of residue selections connected by “or”.
It should also be noted that any type of OMIT map will only show “unambiguous” density for full occupancy ligands. If your ligands are partial occupancy (which you generally can’t determine a priori), be aware that you’ll be looking at a superposition of ligand
density and the other (unknown) state of the crystal.
Dear all,
To generate unambiguous ligand density in a number of structures we would like to omit the surrounding active site residues in the polder-map calculation. However, so far we were
unable to figure out how non-consecutive residues can be selected for phenix.polder.
https://www.phenix-online.org/documentation/reference/atom_selections.html
The documentation only explains how to select ranges of residues but not how to select say 5 individual residues.
Is there a syntax to achieve this ?
Thanks for your advice,
Eike