Re: [PyMOL] drawing axes

2008-06-11 Thread Tsjerk Wassenaar
Hi David, Regarding the first part of your question, the way to load a python (not a PyMol) script is: run axes.py .. and not @axes.py. The latter is used for loading PyMol scripts (.pml). You _can_ use python code in a .pml script, but then you better, or in some cases have to, start with a

Re: [PyMOL] drawing axes

2008-06-11 Thread Schubert, Carsten [PRDUS]
Just to add onto what Tsjerk had to say about running python snippets in a .pml script. You can also encapsulate the python code in blocks like this: python your python code here python end This works with all newer version of pymol (1.0) and enhances readability of the code quite a bit. HTH

Re: [PyMOL] Pymol scripts are very slow doing dihedral calculations

2008-06-11 Thread gilleain torrance
Hi, Wouldn't it be better to use a program written especially for this purpose, like dang/dangle from the richardson group, or dssp (, or others I don't know of)? Of course, you may have a specific reason for using pymol, so this is just a suggestion! gilleain torrance On Wed, Jun 11, 2008 at

[PyMOL] Graphics Workstation

2008-06-11 Thread Buz Barstow
Dear All, I'm considering purchasing a new graphics workstation for molecular graphics and macromolecular refinement. I'm considering buying a machine with 2 quad core xeon processors, and a nVidia Quadro FX graphics card with 1.5 Gb of memory. Can the current generation of software, and

Re: [PyMOL] drawing axes

2008-06-11 Thread David Goldenberg
Thanks very much to Tsjerk and Carsten! I now understand how to load python scripts and can go back to using MacPyMol. This does seem to be a place where the GUI could be clarified. In MacPyMol, the run . . . command in the File menu is apparently just used for pymol scripts, while the

Re: [PyMOL] drawing axes

2008-06-11 Thread Michael Lerner
On Wed, Jun 11, 2008 at 11:48 AM, David Goldenberg goldenb...@biology.utah.edu wrote: Now, could someone point me in the right direction (so to speak) regarding translations of a molecule relative to the graphics reference frame? By default, the translate command works in relation to the

Re: [PyMOL] launch pymol from inside an IDLE ( python-ide)

2008-06-11 Thread hari jayaram
Hey Thanks a tonne Alan After your tip , I got fink IDLE to load pymol without any problem . I also got my home gentoo linux python 2.5 and idle to load pymol the same way. Now I have full code completion to write up my pymol scripts if I idle correctly. On an academic note, Just wondering why

Re: [PyMOL] drawing axes

2008-06-11 Thread David Goldenberg
Thanks very much! Now, on to rotate. David Michael Lerner wrote: On Wed, Jun 11, 2008 at 11:48 AM, David Goldenberg goldenb...@biology.utah.edu mailto:goldenb...@biology.utah.edu wrote: Now, could someone point me in the right direction (so to speak) regarding translations of a

Re: [PyMOL] Graphics Workstation

2008-06-11 Thread Roger Rowlett
Buz Barstow wrote: Dear All, I'm considering purchasing a new graphics workstation for molecular graphics and macromolecular refinement. I'm considering buying a machine with 2 quad core xeon processors, and a nVidia Quadro FX graphics card with 1.5 Gb of memory. Can the current generation of