[PyMOL] mutation

2009-09-22 Thread Chandan Choudhury
Hello all!! I am required to mutate one of the atom of a protein (pdb file) with some groups of atoms. Pymol features us to mutate a residu with another amino acid, but I cannot mutate an atom with some other group that are not amino acids. So, how can I do it. Please help. Also I want to know th

Re: [PyMOL] Bond command not functioning in script

2009-09-22 Thread Warren DeLano
Stuart, For what's it's worth, I'm not able to reproduce the problem: Aside from automatic suppression of output when using the Python API, I'm getting the exact same behavior with # test1.pml cmd.pseudoatom("temp",pos=[0,0,0],name="A") cmd.pseudoatom("temp",pos=[0,0,5],name="B") cmd.bond("te

Re: [PyMOL] dash_radius

2009-09-22 Thread Warren DeLano
Craig, In the OpenGL viewer, dashes are always drawn using line primitives, so dash_radius has no effect until you issue the "ray" command. Note that dash_width is generally preferable to dash_radius since it controls both the OpenGL and ray-traced renditions (so long as dash_radius is zero). Ch

[PyMOL] dash_radius

2009-09-22 Thread Craig Smith
Hello, I trying to make thicker and longer dashes for indicating distances for a figure I'm making. I can make the the dashes longer with dash_length. But, the dashes look very flat. I tried making the dashes look rounder using dash_radius. When I change the value I don't see a change

Re: [PyMOL] dihedral angle

2009-09-22 Thread Warren DeLano
Vivek, If there are multiple attached atoms, then there may be multiple dihedrals present. There is a visual indicator which shows what angle is being measured -- do those indicator match the displayed angle? Cheers, Warren > -Original Message- > From: Vivek Ranjan [mailto:vran...@gmai

[PyMOL] dihedral angle

2009-09-22 Thread Vivek Ranjan
Hello, When I "cntrl+right-click" on a bond, it is supposed to give the dihedral angle. However, it gives something else. E.g. the angle in question has actual dihedral angle of 180 degrees. However, it shows -56.9 degrees. Please let me know how this works ? -- Thank you and Regards, Vivek Ra

[PyMOL] Bond command not functioning in script

2009-09-22 Thread Jason Vertrees
Stuart, I tried this in a script and at the command line and both worked flawlessly. Without access to your script, this could be hard to debug--maybe it's a typo? Here was my test script: cmd.pseudoatom("temp", pos=[0,0,0], name="a") cmd.pseudoatom("temp", pos=[0,0,5], name="b") cmd.bond("te