Skip to main content
htmd.pathplanning module
-
class htmd.pathplanning.Tree(initialpoints)
Bases: object
-
addPoint(point, parent, dist)
-
htmd.pathplanning.parallelfunc(j, spherecoor, ligcoor, protcoor, step, colldist, outdist, distances)
-
htmd.pathplanning.raytracing(mol, ligandsel, othersel='protein', 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)