: Gert Kruger
Date: Saturday, 27 November 2021 at 5:05 pm
To: Ali Saad Kusay
Cc: "pymol-users@lists.sourceforge.net"
Subject: Re: [PyMOL] Complement or Inverse Selection in Pymol
Dear Ali,
Many thanks for your kind and very helpfull reply! One question:
You wrote: "Doing somethi
Dear Ali,
Many thanks for your kind and very helpfull reply! One question:
You wrote: "Doing something like resi 25 and object is safer".
Do you mean: select chA, resi 25
And will that reflect as follows in my requirement:
select other_waters, br. (resn WAT beyond 5 of chA, resi 25)
Best wi
Hi Gert,
These selection commands will generate a selection object called "other_waters "
See https://pymolwiki.org/index.php/Selection_Algebra
You can do:
select other_waters, br. (resn WAT and not sele) # after you make the selection
in your email
or
select other_waters, br. (resn WAT beyond
Dear All,
Apologies for my ignorance. I need to know which solvent molecules are
in the active site of an enzyme (HIV-PR). I use "tleap" in Amber to
create a solvent waterbox in and around the enzyme.
I found the following command that seems to find the Water molecules in
the active site:
> se
