
Dear Ute and Elaine, I'm kind of saddened by this thread. Not only was the interface to Autodock vina useful for teaching, it is actually part of my workflow (with a few modifications), and it would be awesome with it could be implemented in chimeraX. The "small sampling problem" of the chimera interface is easily solvable. The maximum exhaustiveness allowed by the chimera interface is 8, a quick editing of the gui.py file, changing the max from 8 to 64 (line 25, for those interested) solves the problem (you have to delete the gui.pyc file so that the modified gui.py will be recompiled). MGLtools is aging and barelly runs on windows 11 and doesn't run at all on modern macs. The same can be said for Racoon. ChimeraX could be the de facto interface for autodock vina. If there really isn't any plans for implementing the vina interface, maybe I'll have to invest some time into creating a chimerax script/bundle, although a proper one created by the chimerax devs would be the ideal.