Re: [PyMOL] selecting side chains

2005-01-28 Thread Robert Campbell
Hi,

* Lisa Craig licr...@sfu.ca [2005-01-27 20:43] wrote:
 
 How do I select side chains without selecting the backbone atoms?
 

Add ! n. n+ca+c+o or in long form and not name n+ca+c+o to your
selection. So to colour all arginine and lysine side chains blue:

  color blue, r. arg+lys ! n. n+ca+c+o

Cheers,
Rob
-- 
Robert L. Campbell, Ph.D. r...@post.queensu.ca
Senior Research Associatephone: 613-533-6821
Dept. of Biochemistry, Queen's University, fax: 613-533-2497
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[PyMOL] Alignment objects

2005-01-28 Thread Andreas Henschel

Dear PyMOL community,

I am  trying to use the align command (from within python)
and want to evaluate the pairwise matches.
the command

cmd.align(sel1, sel2, object=alignment)

should do. Sorry for this stupid question,
but how do I get hold of the alignment object, and what is its 
functionality?

Ie which methods/values does it provide?

Many thanks.
Andreas

--
Andreas Henschel
Bioinformatics Group
TU Dresden
Tatzberg 47-51
01307 Dresden, Germany

Phone: +49 351 463 40063





RE: [PyMOL] Alignment objects

2005-01-28 Thread Warren DeLano
Andreas,

It's not a stupid question -- its just a year or more ahead of its time.

Right now aligment objects currently don't do anything other than show you
which atoms were aligned in the 3D viewer.  In time however, those objects
will integrate with the sequence-viewer...

Cheers,
Warren


 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Andreas Henschel
 Sent: Friday, January 28, 2005 9:18 AM
 To: pymol-users@lists.sourceforge.net
 Subject: [PyMOL] Alignment objects
 
 Dear PyMOL community,
 
 I am  trying to use the align command (from within python) 
 and want to evaluate the pairwise matches.
 the command
 
 cmd.align(sel1, sel2, object=alignment)
 
 should do. Sorry for this stupid question, but how do I get 
 hold of the alignment object, and what is its functionality?
 Ie which methods/values does it provide?
 
 Many thanks.
 Andreas
 
 --
 Andreas Henschel
 Bioinformatics Group
 TU Dresden
 Tatzberg 47-51
 01307 Dresden, Germany
 
 Phone: +49 351 463 40063
 
 
 
 
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[PyMOL] combining models in a biounit

2005-01-28 Thread Michael George Lerner

hi,

i want to combine the models in a biounit file.  for example, 
ftp://ftp.rcsb.org/pub/pdb/data/biounit/coordinates/divided/ky/1kyw.pdb2.gz

has two models.  so, i

 - load it
 - split_states on it
 - save everything into a pdb file

but .. the pdb file ends up empty (it's just an END line).  am i doing 
something wrong?  is there a workaround?


thanks,

-michael

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