[PyMOL] Zalman 3D Monitor

2009-08-24 Thread Joachim Reichelt
Hello, does anyone know, which Quadro card supports the Zalman mode. The readme states: Stereo options 7, 8, and 9 are only supported on G8xGL and higher GPUs. Mode 7 is for the Zalman -- Joachim -- Let Crystal Reports

[PyMOL] RMS

2009-08-24 Thread Carlos RĂ­os Vera
Hello people, I'm trying to use pymol from a custom python scrypt. What I have done is to align two structures, but I need get the RMS value from that align but I have no idea how to do it. I tried to use the RMS command but the value differs from the value that I get from the align. Any Idea ho

[PyMOL] Calling scripted functions within alter_state

2009-08-24 Thread Stuart Ballard
Hello Warren, all, I've been working on a plugin for PyMOLX11Hybrid, in which I have a few lines of code such as: cmd.alter_state(1, copy, "x,y,z = sym_partner([x,y,z], stored.tmpOp)") AND cmd.alter_state(1, object, "x,y,z = cell_shift_helper([x,y,z],stored.shift)") Both those fun

Re: [PyMOL] Calling scripted functions within alter_state

2009-08-24 Thread Warren DeLano
Hello Stuart, By default, alter_state expressions are evaluated in the "pymol" namespace of the current PyMOL instance, not the "cmd" (pymol.cmd) namespace. The reason why it works with 'run' is that run also executes in "pymol" by default, and thus, includes any functions you define. Try:

Re: [PyMOL] Calling scripted functions within alter_state

2009-08-24 Thread Stuart Ballard
Hello Warren, When adding in the "cmd." I get these error messages: Traceback (most recent call last): File "", line 1, in AttributeError: 'module' object has no attribute 'sym_partner' Traceback (most recent call last): File "", line 1, in AttributeError: 'module' object has no attribute

Re: [PyMOL] Calling scripted functions within alter_state

2009-08-24 Thread Warren DeLano
Stuart, Hmm...whoops, my mistake. Cmd.extend doesn't actually add a function to the cmd module -- only to the command keyword dictionary. So, instead, set it explicitly in your .py file: from pymol import cmd def my_fn(...): cmd.my_fn = my_fn # then later on, in the menu, etc.

Re: [PyMOL] Zalman 3D Monitor

2009-08-24 Thread Warren DeLano
Joachim, I think this is more an issue of driver support rather than hardware. However, the latest drivers do not necessarily support older cards. Please see nVidia's site for details: http://www.nvidia.com/Download/index.aspx?lang=en-us and click on the "supported hardware" tab after searching.

Re: [PyMOL] RMS

2009-08-24 Thread Warren DeLano
Carlos, The complication is that align outputs RMS values for only those atomic pairs remaining following sequence matching following by a refined structure alignment (which omits atoms above a cutoff), whereas rms outputs the value for all atoms matched by identifier (without any optimization)