Re: [PyMOL] Moveable Camera

2010-05-12 Thread Simon Lindhoud
Hi Tom, I guess the first part of your question has already been answered pretty well. If you want to go down the path of the 3d modelling software, I think your best option is molecular Maya, which you can find on www.molecularmovies.com. You'll also find tutorials there. Cheers, Simon On 5/1

Re: [PyMOL] Moveable Camera

2010-05-12 Thread Tsjerk Wassenaar
Hi Robert, PyMOL>help rotate DESCRIPTION "rotate" can be used to rotate the atomic coordinates of a molecular object. Behavior differs depending on whether or not the "object" parameter is specified. So much for rotate. The help for turn is misleading: PyMOL>help turn DESCRIPTI

Re: [PyMOL] msms_pymol.py

2010-05-12 Thread sujuan wang
Dear Robert, I downloaded the msms 2.6.1 from http://mgltools.scripps.edu/downloads#msms and installed into C:\Program Files\MSMS. But there are still something wrong after running the script: There seems to be a problem with the msms output Traceback (most recent call last): File "C:\Program

Re: [PyMOL] msms_pymol.py

2010-05-12 Thread Hongbo Zhu
You can solve it by adding the following line in the msms_pymol.py you downloaded from Robert's page to line 133, right before msms_cmd is defined. if msms_path.startswith('C:/'): msms_path = '\"%s\"' % (msms_path,) Basically, your problem was caused by the whitespace in the path to the MS

Re: [PyMOL] Moveable Camera

2010-05-12 Thread Jason Vertrees
Hi all, PyMOL allows for both camera and object coordinate changes. When you use the mouse to move stuff around, that's the camera moving*--just like the 'turn' command. When you use "rotate", object dragging or some of the other matrix transformation commands (fit, super, align, matrix_copy, up

Re: [PyMOL] How draw the line in images

2010-05-12 Thread Jason Vertrees
Peter, If you knew the positions of the end points of the lines you could make CGO lines, or you could just use a distance measure between two pseudoatoms and modify some label/dash settings: # make two new pseudoatoms, just for # making a distance measure between them # Specify your own position

Re: [PyMOL] msms_pymol.py

2010-05-12 Thread Robert Campbell
Hi Hongbo, On Wed, 12 May 2010 15:59:36 +0200 Hongbo Zhu wrote: > You can solve it by adding the following line in the msms_pymol.py you > downloaded from Robert's page to line 133, right before msms_cmd is defined. > > if msms_path.startswith('C:/'): msms_path = '\"%s\"' % (msms_path,) >

Re: [PyMOL] How draw the line in images

2010-05-12 Thread Robert Campbell
Hi Peter, On Wed, 12 May 2010 10:42:36 -0400 Jason Vertrees wrote: > Peter, > > If you knew the positions of the end points of the lines you could > make CGO lines, or you could just use a distance measure between two > pseudoatoms and modify some label/dash settings: As Jason says, if you hav

Re: [PyMOL] Moveable Camera

2010-05-12 Thread Tsjerk Wassenaar
Hi Jason, Well, this is just polemic... But anyway. If I export the scene to povray, the camera will always be placed at the origin. If I then want to add something to the scene that is defined in the original coordinates of the pdb file, I have to apply the transformation encoded in the matrix ob

[PyMOL] segmentation fault in 1.2r3pre 64-bit on linux

2010-05-12 Thread Ben Eisenbraun
Hi, One of my users is getting this: PyMOL(TM) Incentive Product - PyMOL Executable Build Copyright (C) 2009-2010 Schrodinger, LLC This PyMOL Executable Build is available only to PyMOL Power, Casual, and Developer Users who have a valid license to use this software product. Any other usa

Re: [PyMOL] Moveable Camera

2010-05-12 Thread Bard, Joel
Tom- Take a look at slerpy: http://pymolwiki.org/index.php/Slerpy It was written to do exactly what you describe...and of course it is the camera that moves. The coordinates of the molecule are not changed unless you go into edit mode. Best, Joel -Original Message- From: Dupree Tom [

Re: [PyMOL] segmentation fault in 1.2r3pre 64-bit on linux

2010-05-12 Thread Jason Vertrees
Hi Ben, A couple things come to mind: (1) Always use the latest "proven" NVidia drivers; 180.xx is not current. (2) Some RH versions use Tcl/Tk 8.4 over 8.5. Which is yours using? (3) Could you please send me the md5 sum for your copy? We should make sure it's not corrupted. Cheers, -- Jason

Re: [PyMOL] Moveable Camera

2010-05-12 Thread Tom Dupree
Thank you everyone for giving me your time, I think I failed to explain what I am trying to do correctly/clearly...or I simply do not understand your answers, either is possible :) What I really want is to be able to explore binding sites from inside the binding site. Take a room with a couch