Hi, * Sabuj Pattanayek <sabuj.pattana...@vanderbilt.edu> [2005-08-18 16:08] wrote: > Actually I was wondering the same thing, except how to set it up in > linux. I was able to compile the cctbx but I'm not sure how to get it to > show up as a python module so that Pymol scripts (e.g. Dr. Campbell's > draw_cell.py) can work. Any help would be greatly appreciated. > > Yi Zhang wrote: > >Dear all, > > > >I am trying some of pymol scripts from Prof. Robert L. Campbell, which > >require cctbx module. but I don't know how to put pymol and cctbx > >togther.
I suggested that Yi Zhang ask this on the list, since I have no experience with trying to make this work under Windows. Under Linux, though, I can say that you need to build both cctbx and PyMOL from source to make sure that they are using the same python executable and therefore they can "see" all the available modules for importing and to ensure that all modules are byte-compiled with the same version of Python. Otherwise, even if the modules are visible, you may get version conflict errors when trying to import a module. I use PyMOL built from the CVS source (I like to have the latest and greatest features!). Once this is done the first time, it is a simple process to rebuild it when the CVS entries are updated. The cctbx is easily built from source. Follow the "Downloads" link on http://cctbx.sourceforge.net and look for either the "Self-extracting binary distributions" and use the "cctbx only" version or install the "Self-extracting cctbx sources for Unix". I use the latter just to make sure that it is compiled for the system libraries I have available on my computers. The installation is done with: perl cctbx_bundle.selfx and this will create a setup file that needs to be run: source cctbx_build/setpaths.sh (or .csh if you use a csh variant). The installation is exactly the same with the "self-extracting binary distributions" (apart from the file name used in the "perl" command). I hope this is sufficiently clear. I guess I should create a page of these instructions and link to it from my PyMOL scripts page. Cheers, Rob -- Robert L. Campbell, Ph.D. <r...@post.queensu.ca> Senior Research Associate phone: 613-533-6821 Dept. of Biochemistry, Queen's University, fax: 613-533-2497 Kingston, ON K7L 3N6 Canada http://adelie.biochem.queensu.ca/~rlc PGP Fingerprint: 9B49 3D3F A489 05DC B35C 8E33 F238 A8F5 F635 C0E2
