[PyMOL] detecting the existence of a selection

2003-12-01 Thread Tina Li 
Hello,

I wonder if there is a quick and simple way of detecting whether a selection
exists without triggering any errors. e.g. to check if there are currently any
atoms picked (and collect the residue IDs if there is any), I do:

cmd.iterate("(lb)","stored.list.append((resi))")

if no atoms were picked, I would see the alarming error messages:

Selector-Error: Unknown keyword or selection.
Selector-Error: Malformed selection.
( ( lb<--

Is it possible to suppress them and still get the result?

Thanks in advance!

Tina

RE: [PyMOL] detecting the existence of a selection

2003-12-01 Thread Warren L. DeLano 
Tina,

Use the Python "in" operator

selection-name in cmd.get_names("selections")

PyMOL>print "foo" in cmd.get_names("selections")
False
PyMOL>select foo, all
 Selector: selection "foo" defined with 1631 atoms.
PyMOL>print "foo" in cmd.get_names("selections")
True

Cheers,
Warren

--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154 
Fax   (650)-593-4020

> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Tina Li
> Sent: Monday, December 01, 2003 11:50 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] detecting the existence of a selection
> 
> Hello,
> 
> I wonder if there is a quick and simple way of detecting whether a
> selection
> exists without triggering any errors. e.g. to check if there are
currently
> any
> atoms picked (and collect the residue IDs if there is any), I do:
> 
> cmd.iterate("(lb)","stored.list.append((resi))")
> 
> if no atoms were picked, I would see the alarming error messages:
> 
> Selector-Error: Unknown keyword or selection.
> Selector-Error: Malformed selection.
> ( ( lb<--
> 
> Is it possible to suppress them and still get the result?
> 
> Thanks in advance!
> 
> Tina
> 
> 
> 
> 
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[PyMOL] mutating DNA

2003-12-01 Thread Stefan Bäckström 
Hello everybody.

Is it possible to mutate DNA in pymol ??

Best wishes,

Stefan Bäckström
UCMP
Umeå University
Sweden