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mp_ddG.py File Reference

Namespaces

 mp_ddG
 

Functions

def mp_ddG.main (args)
 Main - Add Membrane to Pose, Compute ddG. More...
 
def mp_ddG.compute_ddG (pose, sfxn, resnum, aa, repack_radius, sc_file)
 Compute ddG of mutation in a protein at specified residue and AA position. More...
 
def mp_ddG.mutate_residue (pose, mutant_position, mutant_aa, pack_radius, pack_scorefxn)
 
def mp_ddG.print_ddG_breakdown (native_pose, mutated_pose, sfxn, resnum, aa, fn)
 Print ddG breakdown from the pose Extract weighted energies from the native and mutated pose. More...
 
def mp_ddG.print_score_labels_to_file (native_pose, sfxn, fn)
 Get header for ddG breakdown output Save the score labels, to be printed at the top of the output breakdown file. More...
 
def mp_ddG.convert_array_to_str (array)
 Convert an array to a space deliminted string Save the score labels, to be printed at the top of the output breakdown file. More...
 

Variables

 mp_ddG._script_path_ = os.path.dirname( os.path.realpath(__file__) )