Hi Jeff,
try this:
# given a ligand within a protein binding pocket
select ligand, resn HEM
# detect nearest neighbors within X distance
select neighbors, polymer within 5.0 of ligand
# select the residue of each neighbor, add a label
label byca neighbors, resn + resi + chain
# set an appropri
I am sure this has been asked many times before but I can't find the
answer after much searching...
Is there a pymol script that, given a ligand within a protein binding
pocket, will detect nearest neighbors within X distance (not necessarily
H bonded), select the residue of each neighbor, add a l
... so a wizard seems the way to go.
Thnx,
T.
On Jun 9, 2012 10:56 AM, "Tsjerk Wassenaar" wrote:
Hi Thomas,
The problem is a bit more complicated than that. I just want to be able to
turn on/off some representation by just clicking the atom. I don't want to
select, press key, deselect. Especi
Hi Thomas,
The problem is a bit more complicated than that. I just want to be able to
turn on/off some representation by just clicking the atom. I don't want to
select, press key, deselect. Especially for carving surfaces or meshes:
click atom to turn off and click again to turn on if the result i
Hi Tsjerk,
you could map keys, so hiding surface of a atom/residue/... breaks down
to a click + key press operation.
cmd.set_key('F1', cmd.show, ('surface', 'sele'))
cmd.set_key('F2', cmd.hide, ('surface', 'sele'))
If you really want to map the mouse click operation you need to write a
wizard,
