Dear PyMOLers, It was brought to my attention recently that the draw_cell.py and draw_symops_cctbx.py scripts on my web site were broken due to changes in the cctbx interface. It had been a while since I used the scripts myself, and I hadn't kept abreast of Ralf's changes ...
Then Warren kindly added the get_symmetry function to allow accessing the unit cell parameters for a loaded molecular object rather than having to type them in. I've incorporated that function along with the corrections for using the new cctbx. The new versions are now available on my web site: http://adelie.biochem.queensu.ca/~rlc/work/pymol So, now you can do something like: load 1avv.pdb run draw_cell.py run draw_symops_cctbx.py draw_cell 1avv draw_symops 1avv or if you need to specify the parameters because you don't have an object with the symmetry specified, you can do: draw_cell_param((30.,40.,50.,90.,99.,90.)) draw_symops_param((30.,40.,50.,90.,99.,90.),'p21') If you wish to override the default radius of 0.2 Angstroms, then it can be included: draw_cell 1avv, .4 draw_symops 1avv, .3 or draw_cell_param((30.,40.,50.,90.,99.,90.),.4) draw_symops_param((30.,40.,50.,90.,99.,90.),'p21',.3) Hopefully someone will find this useful. 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
