Excellent! I had previously been using things like 'not elem c+n+o+h+s' in
my scripts. Using 'metal' will match my intent much better. 'Sidechain'
will be appreciated as well.
I would suggest 'ligand' and 'ptm' selectors to distinguish nonbonded and
covalently bonded hetatms. Although I'm not sure
Dear all,
I have aligned two structures (one the initial structure and another one is the
final structure after MD simulation) in pymol, now I want to measure the
C-alpha- C-alpha distances of each residue between the initial and the final
structure of the MD simulation. Is it possible to do it
Hi Ananya,
This is easily doable in PyMOL.
If you've already aligned the two structures and, let's stay they're
called protein1 and protein2, then use "rms_cur":
rms_cur protein1 and guide, protein2 and guide
If the initial and final structures are in the same object loaded from
disk then you
