res_list = [] iterate name ca, res_list.append(chain+"/"+resi+"/")
cmd.indicate(res_list[2]) -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 USA . Biz:(650)-872-0942 Tech:(650)-872-0834 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:[email protected] > -----Original Message----- > From: [email protected] > [mailto:[email protected]] On Behalf Of Dan Kulp > Sent: Thursday, January 19, 2006 9:37 AM > To: [email protected] > Cc: Alex Luso; [email protected] > Subject: Re: [PyMOL] Possible to select the nth residue? > > 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 > >> [email protected] > >> https://lists.sourceforge.net/lists/listinfo/pymol-users > >> > >> > > > > > > > -- > Dan Kulp > Biophysics Graduate Student @ UPenn > [email protected] > http://dwkulp.homelinux.net/tiki/tiki-index.php > -- > > > > ------------------------------------------------------- > 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 > [email protected] > https://lists.sourceforge.net/lists/listinfo/pymol-users > > > >
