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: [email protected]
> [mailto:[email protected]] On Behalf Of
> [email protected]
> Sent: Wednesday, February 11, 2004 12:18 PM
> To: [email protected]
> 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
> [email protected]
> University Laval
>
>
>
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