Hi Gregor, I can't reproduce this with a simple program (like calling cmd.load_coords in an endless loop, threaded or non-threaded). Can you give some more details? Which PyMOL version? Which operating system? Do these load_coord calls all target the same object or different objects? Can you use cmd.get_coordset and cmd.load_coordset instead (entire object instead of atom selection) or does the issue persist?
Thanks, Thomas > On Aug 29, 2017, at 11:41 AM, Gregor Hagelüken <hagelue...@pc.uni-bonn.de> > wrote: > > Hi, > > I am using the cmd.load_coords function in my script, which does the > following: > > 1-do some calculations with coordinates. I want to use the new coordinates as > input for another program, for which I only have an executable that reads > .pdb files. So my approach is: > 2-Use load_coords to apply the new set of coordinates (numpy array) to a > pymol object > 3-Write this object out as .pdb and use as input for other program > 4-get result > 5-do some other stuff > > In principle, this seems to work - but: > > I am using multiprocessing with 10 processes. Most times that I run the > script, 8 or 9 processes run fine but one or two simply stop doing anything > at step 2. I found that this line is the culprit: > ... > cmd.load_coords(complex, "complex”) > …. > > This also happens about once in 10 runs when I use just 1 process. > > It seems that the function sometimes does not return any result - any idea > why this happens? > > Thank you and all the best, > Gregor -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
