Leigh, * le...@rsvs.ulaval.ca <le...@rsvs.ulaval.ca> [2004-02-11 15:18] wrote: > 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. >
You need to specify the object in the atom spec above. If your object is called "obj1", then: PyMOL>get_dihedral obj1///9/C, obj1///10/N, obj1///10/CA, obj1///10/C should work. Or using the other atom specification syntax for those that find it clearer, if more verbose: PyMOL>get_dihedral obj1 & i. 9 & n. c, obj1 & i. 10 & n. n, obj1 & i. 10 & n. ca, obj1 & i. 10 & n. c Cheers, Rob -- Robert L. Campbell, Ph.D. <r...@post.queensu.ca> Senior Research Associate phone: 613-533-6821 Dept. of Biochemistry, Queen's University, fax: 613-533-2497 Kingston, ON K7L 3N6 Canada http://adelie.biochem.queensu.ca/~rlc PGP Fingerprint: 9B49 3D3F A489 05DC B35C 8E33 F238 A8F5 F635 C0E2
