Re: [PyMOL] Query variable value

2005-10-20 Thread Ezequiel H Panepucci
Olivier, But how do I find out specular's (or ANY variable's) value without changing it? I wrote a little extension called 'grepset' that does what you want and it is great for finding out about other settings. It is available at the pymol wiki site: http://www.pymolwiki.org/index.

Re: [PyMOL] How to raw_input() from windows Pymol?

2005-10-17 Thread Ezequiel H Panepucci
Evangelos, Maybe you could write a wizard instead of a script, look at C:\..\pymol\modules\pymol\wizard\renaming.py Zac evangelos papadopoulos wrote: Hello all, I am using the windows binaries for PyMol. Whereas in Python it is easy to do a: a=raw_input() When I use PyMol under windo

Re: [PyMOL] Global vars in Plugin name space?

2005-09-19 Thread Ezequiel H Panepucci
Andreas Henschel wrote: Is it the only possibility to put all functions > that share memory in the same plugin? no. you can do the following: from pymol import cmd,stored stored.colorDict = { 'blue': '/1ewf//A/1-217 and not hetatm',

Re: [PyMOL] comments ?

2005-08-02 Thread Ezequiel H Panepucci
But, '#' doesn't work in p1m file. Error: unrecognized keyword: #second The # line involves an error but the script goes on. I think indeed you found a bug with the parsing of p1m files. I have the same behaviour on my Linux computer. Nice choice of colors by the way. Cheers, Zac

Re: [PyMOL] comments ?

2005-08-01 Thread Ezequiel H Panepucci
'#' seems to be incorrect: It is not incorrect. If you post your script and how you use it we might be able to help. Also, if you have something in you $HOME/.pymolrc or $HOME/.pymolrc.py you should try temporarily moving these files elsewhere and trying again. Something may have gone wrong in

Re: [PyMOL] comments ?

2005-08-01 Thread Ezequiel H Panepucci
I try to add comment lines in my pml scripts but I don't know how to do. I tried #, /*, //,

Re: [PyMOL] nVidia Driver 7664 for Linux

2005-06-13 Thread Ezequiel H Panepucci
I have the impression that this driver release (nvidia 7664) fixed the need of the setting stereo_double_pump_mono. This might effectively double the performance of Nvidia cards configured to support quad-buffered stereo. Can anyone confirm this? Zac

Re: [PyMOL] labelling using single letter codes

2005-06-08 Thread Ezequiel H Panepucci
Hello Ramesh, > Is it possible to do the labelling using single letter codes for the > amino acid residues rather than the three letter codes? Yes. 1. Add this to your $HOME/.pymolrc file: # start $HOME/.pymolrc modification one_letter = {'VAL':'V', 'ILE':'I', 'LEU':'L', 'GLU':'E', 'GLN':'Q',

[PyMOL] nvidia 7664 released June 1st, 2005

2005-06-02 Thread Ezequiel H Panepucci
Hi, I've installed the nvidia driver 7664 and it works very well with PyMOL 0.98 under Linux (Centos4/rhel4) without crashes so far. Zac -- Ezequiel PANEPUCCI, Ph.D. - Institut Pasteur Plate-Forme 6 - Cristallogénèse et Diffraction des Rayons X

Re: [PyMOL] effect of number of pixels on ray image quality

2005-01-21 Thread Ezequiel H Panepucci
Douglas Kojetin wrote: Building on the two previous posts, is it necessary to use 'viewport' before executing 'ray'? this: ray 2000, 2000 instead of: viewport 700, 700 ray 2000, 2000 I didn't quite understand your post. The viewport command prior to ray tracing is just so you have

Re: [PyMOL] effect of number of pixels on ray image quality

2005-01-20 Thread Ezequiel H Panepucci
yvonne leduc wrote: I would like some confirmation or explanation about the differences I see, and the way I understand it. Hello Yvonne, The command "ray" does not care about the size of your display, it may even be used in batch mode on a computer that does not have a monitor attached to it

Re: [PyMOL] pymol and cctbx

2005-01-19 Thread Ezequiel H Panepucci
Nat Echols wrote: I'm trying to use Robert Campbell's draw_axes script with PyMOL 0.97 on Linux. Is there a simple way to get stock PyMOL to recognize stock CCTBX? I'm not having any success here. (If I have to I'll use the special distribution on the lab's Mac, but I'd rather just get it going

Re: [PyMOL] 3D on linux

2003-01-29 Thread Ezequiel H. Panepucci
Naveen, I recommend graphics cards with the nvidia quadro4 xgl chips. We several PNY Quadro4 700 XGL and they work great. The caveat is that if you have it configured for quad buffered Stereo then mono display (the usual) will be low performance. zac Naveen Michaud-Agrawal wrote: Hi, this is mor

[PyMOL] sessions and density wiz

2003-01-15 Thread Ezequiel H. Panepucci
Hello There, I noticed that my "button" command reassignments in $HOME/.pymolrc are ignored/overruled when loading session files either from the load command or from the command line. These are the assignments that get reset when loading session files: button m,None,PkAt button m,

[PyMOL] cvs problems

2003-01-15 Thread Ezequiel H. Panepucci
Hello There, I am trying to download the CVS version from pymol but I get a connection refused message. Logging in to :pserver:anonym...@cvs.pymol.sourceforge.net:2401/cvsroot/pymol CVS password: cvs [login aborted]: connect to cvs.pymol.sourceforge.net(66.35.250.207):2401 failed: Connection r

Re: [PyMOL] ragged ends on rendered stick pictures

2002-12-05 Thread Ezequiel H. Panepucci
Viktor, maybe pymol is also ray tracing the lines which have a fixed rendered radius. the fix for this is to "hide lines, (selection)" where selection is the atoms/bonds you want represented as thin sticks. zac Viktor Hornak wrote: I've noticed another minor problem with internal raytracer: w

Re: [PyMOL] Need help with selections

2002-10-11 Thread Ezequiel H Panepucci
select ligands, (byres gmp expand 5 and psd) selects whole residues from molecule psd within 5 A from gmp aaron.b.mil...@gsk.com wrote: Hello, I am somewhat new to PYMOL and was trying to create a selection of atoms. What I need to do is select all atoms of a protein that are within 5 angstro

[PyMOL] FYI: nvidia stereo + twinview does not work

2002-10-02 Thread Ezequiel H Panepucci
Hi People, For your information, the latest Nvidia driver does not support stereo with a dual monitor (aka TwinView) configuration. It might work if you have 2 graphics cards though I haven't tried that. Does any one know if this is possible with any of the ati firegl cards? Thanks, Zac

Re: [PyMOL] pymol without GL

2002-07-18 Thread Ezequiel H Panepucci
Oops! I forgot to mention that this is related to the GeForce4 Ti 4400 that we have in our lab. So I am guessing it also applies to the Ti4600. On the other hand, the Quadro4 700 XGL works fine, except for the annoying stereo-good mono-bad performance glitch. Zac DeLano, Warren wrote: Zac,

Re: [PyMOL] pymol without GL

2002-07-16 Thread Ezequiel H Panepucci
Nathaniel Echols wrote: By the way, has anyone else experimented with hardware antialiasing on NVidia cards under Linux? I've had mixed results so far, and I'm not sure what I'm doing wrong (this is with a GeForce 4 Ti 4600). the nvidia driver (as far as 28.90) does not allow for simultan