htmd.pathplanning.
parallelfunc
(j, spherecoor, ligcoor, protcoor, step, colldist, outdist, distances)¶htmd.pathplanning.
raytracing
(mol, ligandsel, step=1, colldist=2, outdist=8, ligcom=False, numsamples=2000, ratioexposed=0, vmd=True)¶htmd.pathplanning.
rrt
(mol, ligandsel, step=1, maxiter=1000000, ligcom=False, colldist=2, outdist=8)¶htmd.pathplanning.
rrtstarsmart
(mol, ligandsel, step=1, maxiter=1000000, ligcom=False, colldist=2, outdist=8, radius=2.5)¶