Re: [PyMOL] Get number of residues in model

[Jason V. <jas...@sc...>]

Hi Martin,

You get three options:

(1) You can count alpha carbons:

fetch 1rx1, async=0

count_atoms n. CA


(2) But, a protein could be missing alpha carbons then this is more
complete (and the technique worth noting):

n=0
select qq, polymer
select pp, None
python
while cmd.count_atoms("qq"):
  cmd.select("pp", "br. first qq")
  cmd.select("qq", "qq and not pp")
  n+=1
python end
print "count_atoms: %d" % n

If you put:

select qq, *

you'll get a higher count (160) because one atom in 1rx1's inorganic
set is also named "CA".


(3) The shorter version of (2) is:

print len(cmd.get_model("poly").get_residues())

Cheers,

-- Jason


On Tue, Nov 29, 2011 at 9:50 AM, Martin Hediger <ma...@bl...> wrote:
> Dear List
> How can I compute the numbers of residues in a model?
>
> Martin
>
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-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC

(e) Jas...@sc...
(o) +1 (603) 374-7120