pymol-users

[PyMOL] how can we rotate torsion angle of a molecule?

[Albert <mai...@gm...>]

Hello:

I am just wondering is it possible to rotate the torsion angle of a 
molecule in Pymol? I search in pymolwiki, and I only find how to 
translate a molecule or move the atom positions, but I didn't find 
anything about how to rotate a torsion angle of a molecule.

Meanwhile, I am just wondering is it possible for pymol give alternative 
rotamer conformation of a protein residue?

thanks a lot

Albert

Re: [PyMOL] how can we rotate torsion angle of a molecule?

[David H. <li...@co...>]

> On Jul 6, 2015, at 10:44 AM, Albert <mai...@gm...> wrote:
> 
> Hello:
> 
> I am just wondering is it possible to rotate the torsion angle of a 
> molecule in Pymol? I search in pymolwiki, and I only find how to 
> translate a molecule or move the atom positions, but I didn't find 
> anything about how to rotate a torsion angle of a molecule.

http://www.pymolwiki.org/index.php/Set_dihedral <http://www.pymolwiki.org/index.php/Set_dihedral>
http://stackoverflow.com/questions/19958043/change-dihedral-angles-using-the-mouse-in-pymol/25355318#25355318 <http://stackoverflow.com/questions/19958043/change-dihedral-angles-using-the-mouse-in-pymol/25355318#25355318>

> Meanwhile, I am just wondering is it possible for pymol give alternative 
> rotamer conformation of a protein residue?

http://pymolwiki.org/index.php/Mutagenesis <http://pymolwiki.org/index.php/Mutagenesis> (using without mutating gives you rotamers for a residue)
http://www.pymolwiki.org/index.php/Rotamer_Toggle <http://www.pymolwiki.org/index.php/Rotamer_Toggle>

-David