[PyMOL] map problems

2004-07-09 Thread rbaxter
Dear All, I have an electron density map that apears to show something in O, but when I display it in PyMOL the map seems to be shifted in some way, that is, I can see features with the same size, shape and relative orientation, but they no longer coincide with the atomic model. I suspect a proble

[PyMOL] GLX error

2004-05-11 Thread rbaxter
Dear All, I am running Pymol 0.95 on Mandrake Linux 10.0, or at least I was until today. Yesterday I performed a standard update on the system, and today pymol crashes with the following error: GLUT: Fatal Error in pymol.exe: OpenGL GLX extension not supported by display: :0.0 PyMOL: abrupt pro

[PyMOL] calculate orientation matrix based on normal

2004-05-01 Thread rbaxter
Dear All, I want to get a specific view set up in PyMOL based upon the coordinates inthe PDB file. I have calculated where the center should be (i.e. c.o.m. of the coordinates) and then calculated the plane a*x + b*y + c*z = 1 for three points to get the plane I want for the image, and the normal

[PyMOL] controlling atom sphere radii

2004-01-20 Thread rbaxter
Dear All, I have some residues shown as sticks and a heteroatom shown as a sphere. I woul dlike to make the sphere a little smaller compared to the sticks. How can I control the radius of the sphere? Any help appreciated, snippet of script below, Richard Baxter select pocket3=((s;RCVL and i;189

RE: [PyMOL] labeling atoms in GUI

2003-11-01 Thread rbaxter
Thank Warren, that works great -RB Quoting "Warren L. DeLano" : > Richard, > > It's not GUI, but you could simply bind a function key such as F1 to > that command: > > cmd.set_key('F1',lambda :cmd.label("(lb)",'"%s %s > %s"%(name,resn,resi)')) > > You might then want to bind 'F2' to something

[PyMOL] labeling atoms in GUI

2003-10-29 Thread rbaxter
Dear All, I want to look at my structure in PyMOL and, having centered on something defined by my selection script, pick atoms nearby and see what residues they belong to. That is, I want to pick select an atom with the mouse and have its name, residue name and residue number appear on screen, lik

[PyMOL] installing 0.90 from scratch

2003-07-27 Thread rbaxter
Dear All, I tried installing 0.90 from source, using "option 1", i.e. python setup1.py install python setup2.py But when I try to run the executable pymol.com, I get the error: Traceback (most recent call last): File "/usr/lib/python2.2/site-packages/pymol/__init__.py", line 92, in ? impo