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mousecoordinatespymol

change dihedral angles using the mouse in Pymol


Does anyone know the method to change the phi/psi/omega angles using the mouse in pymol?

I know the command: Set_dihdral but want to play with the dihedral angles using the mouse.

Thank you, Steve


Solution

  • I've not seen this in PyMOL but Gaussian has a feature like this. You can set bond lengths, angles, and dihedral angles with slide bars and watch them update in real time.

    I've used this before to edit PDB files but I've only needed to do so once in a while.

    EDIT: Chimera can do this too and it's better suited for macromolecules than Gaussian. Ctrl double click on a bond and then Tools > Structure Editing > Adjust Torsions

    UPDATE: I just figured out how to do this in PyMOL. Wizard > Sculpting, click on the residue containing the torsion angle of interest, then in the sculpting menu in the lower right change "Residue Shells" to "One Residue", now ctrl-right click on a bond then ctrl-left click and drag to change the torsion angle. You may want to change the settings in Build > Sculpting > Restraints.