SuperSym is a PyMOL plugin providing a large number of tools for visualization of space groups; unit cells; and symmetry axes, operators, and partners. It requires cctbx and numpy. It wwould be a really great addition to the pymol plugins in the tree. Reproducible: Always
I also really like to see this plugin comming in. But is it working with the current cctbx ebuild? For me cctbx is still evaly broken.
I really don't know if cctbx works reliably, because I never had the chance to try it. All I know is that it is a dependency for SuperSym, so I installed it. However, the SuperSym script fails to start up in pymol because it can't find the cctbx executables: "SystemExit: Oops! SuperSym requires cctbx and numeric python to function. Please install these." I put the following line in my .bashrc: === source /usr/lib64/cctbx/cctbx_build/setpaths_all.sh === and it works because this is my PATH: === $ echo $PATH /usr/lib64/cctbx/cctbx_build/bin: ..... === However, pymol is not honoring the system PATH, so it does not find the cctbx executables. There's a page in the pymol wiki explaining how to get pymol to add that directory to its path: http://www.pymolwiki.org/index.php/CCTBX I tried to follow the instructions at the end of the page, but the Gentoo-installed cctbx does not have the "shell script called "python"". There's instead a /usr/lib64/cctbx/cctbx_build/bin/cctbx.python, but this one does not seem to provide the required /usr/lib64/cctbx/cctbx_build/bin inside pymol if sourced. My knowledge of python is more than basic so I couldn't proceed any further. If pymol were able to run the script (after correctly adding the cctbx bin directory to its path) I could check out it cctbx is doing its job ot not.
AS cctbx seems to be fixed, I will try to get this in.
Thanks Justin. The scientific Gentoo community already has an eternal debt with you. If I don't have the chance next week, I wish you a Merry, Meery Christmas for you and your family.
