Sorry the below actually won't work, you'll need something more...
nth_residue = 3
previous = -1
cur_res = 0
nth_resi = 0
for at in cmd.get_model("molecule1 and chainA").atom:
if (at.resi != previous):
cur_res++
if (cur_res == nth_residue):
nth_resi = at.resi
break
# Now do the selection...
cmd.select("myselection", "molecule1 and chain A and resi %s" % (nth_resi))
There might be a cleaner way, but something along these lines should work.
Sorry for the first email,
Dan
This looks better. However you'll want to put it in a script, wrap it
with a function, etc... I haven't test the above though.
Dan Kulp wrote:
I just needed to do this and this was my solution
NTH_RESIDUE=3
cmd.select("myselection", "molecule1 and chain A and resi %s" %
(cmd.get_model("molecule1 and chain A").atom[NTH_RESIDUE]))
will create a selection named myselection and contain only the
NTH_RESIDUE of molecule1 and chain A.
Hope this helps,
~Dan
Alex Luso wrote:
One more question.
Someone asked me this: is it possible in Pymol to select
the nth (e.g. the 3rd) residue in a molecule/chain without
knowing the pdb residue # itself?
-Alex
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