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....@bluewin.ch> 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) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120
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All the data continuously generated in your IT infrastructure
contains a definitive record of customers, application performance,
security threats, fraudulent activity, and more. Splunk takes this
data and makes sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-novd2d
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