[PyMOL] Pymol crash when raytracing empty graphics

2015-08-17 Thread Spencer Bliven
We have a pipeline that uses pymol to create images using the headless command line interface. I've discovered that PyMOL 1.7.4 and 1.7.6 (at least) crash if you try to ray-trace an empty viewport. Example: pymol -q -c -d 'fetch 1a1q,async=0;as cartoon;ray' This particular example only has CA

Re: [PyMOL] Pymol crash when raytracing empty graphics

2015-08-17 Thread John Berrisford
Dear Spencer It is possible to work this out using the PDBe API. for our interactive API see: http://www.ebi.ac.uk/pdbe/api/doc/ The molecules url will give you this information: http://www.ebi.ac.uk/pdbe/api/pdb/entry/molecules/1a1q entity 1 has ca_p_only: true, which means cartoon will not

Re: [PyMOL] .pdb files and rendering software

2015-08-17 Thread Sampson, Jared
Hi again, Joe - Try saving in COLLADAhttp://www.pymolwiki.org/index.php/COLLADA format with `save myfile.dae` (in PyMOL v1.7.3.2 or later). If you're using Blender, you'll need to `set collada_geometry_mode, 1`, because Blender only supports polylists for COLLADA import, and not the more

Re: [PyMOL] How does PyMOL create .obj file?

2015-08-17 Thread Sampson, Jared
Hi Joe - The coordinate system in the .obj file is in camera space, where (0,0,0) is the center of the viewport, positive x to the right, positive y up, and positive z out of the screen toward the viewer. If you want to correlate them, you would need to transform the model coordinates using

Re: [PyMOL] Pymol crash when raytracing empty graphics

2015-08-17 Thread Thomas Holder
Hi Spencer, Thank you for the bug report. We could reproduce and fix the crash, if you want I can send you a hotfix build. I will also push the fix to the open source SVN repository soon. I second John's suggestions to query the ca_p_only property from the PDBe API. Also, the next PyMOL