From: Qasim P. <qas...@gm...> - 2016-06-22 22:53:47
|
Dear pymol users, I have the trajectory file (.xtc file) of a protein using GROMACS. gmx helixorient tool of GROMACS calculates it for each C-alpha atom of helix as a function of simulation time. Whereas, I would like to calculate only ONE helical tilt angle relative to the z -axis of a alpha helix for each frame of simulation. Does anyone have a script to calculate the helix tilt angle relative to the z -axis of a alpha helix? Any helps will be appreciated. -- Qasim Pars |