htmd.pathplanning module#
- 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)#