RE: [PyMOL] access space group and cell dimensions of stored molecules

[Warren L. D. <wa...@de...>]

Peter,

	The next version of PyMOL has a get_symmetry function which can
be 
used to obtain the crystal symmetry of an object.

	As far as wizards go, both the name of the file and the name of
the derived class should match.  PyMOL expects the first letter of the
class (only) to be capitalized, but the filename should be all
lowercase.

For example:

pymol/modules/wizard/mywiz.py

containing

class Mywiz(Wizard):
   ...

should work.

Cheers,
Warren

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

> -----Original Message-----
> From: pym...@li... [mailto:pymol-users-
> ad...@li...] On Behalf Of Peter Haebel
> Sent: Wednesday, September 24, 2003 5:31 AM
> To: pym...@li...
> Subject: [PyMOL] access space group and cell dimensions of stored
> molecules
> 
> i have started working on a space group class that can display
symmetry
> operators, etc... and i got stuck trying to obtain the space group
> information from pymol molecule objects.
> 
> - how can i get the space group and unit cell dimensions of an object?
> 
> secondly, i am trying to write a wizard to easily access the new
> functions.
> 
> - but i dont fully understand how wizards work. if i simply rename the
> density wizard it is no longer accessible in pymol, ie. 'wizard
newname'
> does not bring up the control panel. how can i rename/copy a wizard
and
> modify it? simply modifying the source code density wizard without
> renaming
> it seems to work.
> 
> 
> cheers,
> 
> peter
> 
> 
>
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