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
>>
>> __________________________________________________
>> Do You Yahoo!?
>> Tired of spam? Yahoo! Mail has the best spam protection around
>> http://mail.yahoo.com
>>
>> -------------------------------------------------------
>> This SF.net email is sponsored by: Splunk Inc. Do you grep through
>> log files
>> for problems? Stop! Download the new AJAX search engine that makes
>> searching your log files as easy as surfing the web. DOWNLOAD SPLUNK!
>> http://sel.as-us.falkag.net/sel?cmd=lnk&kid=103432&bid=230486&dat=121642
>> _______________________________________________
>> PyMOL-users mailing list
>> PyM...@li...
>> https://lists.sourceforge.net/lists/listinfo/pymol-users
>>
>>
>
>
--
Dan Kulp
Biophysics Graduate Student @ UPenn
dw...@ma...
http://dwkulp.homelinux.net/tiki/tiki-index.php
--
|
