[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)

PyMOLprint foo in cmd.get_names(selections)
False
PyMOLselect foo, all
 Selector: selection foo defined with 1631 atoms.
PyMOLprint 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