RE: [PyMOL] get_dihedral & multiple objects

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

Leigh,

	Get_dihedral can do what you need -- I think the problem is that you
need to be more narrow in your atom selections.  Otherwise, 9/C will match
every atom named "C", in every residue "9", and in every protein loaded.

With two proteins loaded:

load prot1.pdb
load prot2.pdb

You'll need to restrict each atom selection to just one of the two proteins:
 
get_dihedral prot1///9/C, prot1///10/N, prot1///10/CA, prot1///10/C

Cheers,
Warren


> -----Original Message-----
> From: pym...@li... 
> [mailto:pym...@li...] On Behalf Of 
> le...@rs...
> Sent: Wednesday, February 11, 2004 12:18 PM
> To: pym...@li...
> Subject: [PyMOL] get_dihedral & multiple objects
> 
> I am trying to use the get_dihedral routine.  If I've got 
> just one object it works as expected.  For example:
> 
> PyMOL>get_dihedral 9/C, 10/N, 10/CA, 10/C  (I type in)
>  cmd.get_dihedral: -49.721 degrees.   (pymol replies)
> 
> But if I've got MORE than one object loaded, which I usually 
> do, pymol gives me this error:
> 
> GetDihedral-Error: Selection 1 doesn't contain a single atom/vertex.
> GetDihedral-Error: Selection 2 doesn't contain a single atom/vertex.
> GetDihedral-Error: Selection 3 doesn't contain a single atom/vertex.
> GetDihedral-Error: Selection 4 doesn't contain a single atom/vertex.
> 
> I **need** to be able to call get_dihedral when I've got more 
> than one object loaded. De-selecting all but one object 
> doesn't work either.  I have tried everything that I can think of.
> Loading multiple pdb files into one object DOES Work (and 
> then I specify a state to get_dihedral), but again this is 
> not what I want to do.
> 
> Can someone please help me?
> 
> Leigh Willard
> le...@rs...
> University Laval
> 
> 
> 
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