Re: [PyMOL] Pymol Qt Wayland

2019-11-05 Thread Thomas Holder
Hi Quyen, This works for me: export QT_QPA_PLATFORM=xcb pymol Hope that helps. Cheers, Thomas On Sun, Nov 3, 2019 at 6:15 AM RDirective wrote: > > Dear all, > > I have a slight problem with Pymol on Fedora 31. The vanilla distribution > runs Gnome on Wayland. Pymol complains that

Re: [PyMOL] Get surface coordinates

2019-11-05 Thread Pedro Lacerda
Update: worked the same for me, but may have impact in other cases: MIN_LEVEL = 0 MAX_LEVEL = 20 LEVEL_RANGE = np.arange(MIN_LEVEL, MAX_LEVEL+0.5, 0.5) def _get_map(map_name): dump_fhandle, dump_fname = tempfile.mkstemp() open(dump_fhandle).close() try: levels = {}

Re: [PyMOL] Get surface coordinates

2019-11-05 Thread Pedro Lacerda
For the sake of completeness here is some working code. `dump` exports the surface of map representations. They are all surfaces. So I had to dump the map at each level (0.5 by 0.5 increment) in order to get a filled volume. If you concatenate all xyz arrays you get the filled volume of the