[PyMOL] Thermal ellipsoid plot

2019-06-23 Thread koji naka
Dear all, The size of isotropic atoms plotted by using "alter all, vdw = sqrt(b/8)/pi" and "show sphere" looks small compared with the size of anisotropic atoms displayed by "show ellipsoid" in PyMOL default setting with 50% probability. How can I plot the isotropic atoms with 50% probability? T

Re: [PyMOL] pymol in no-gui mode

2019-06-23 Thread James Starlight
thank you very much, Ali! I only changed the quotes in your script because I have integrated it to my shell script in order to use with the varibables: # run pymol to align the snapshots and save it to the session pymol -c -d " from pymol import cmd cmd.load('${sim}/${simulation}_after_min

Re: [PyMOL] pymol in no-gui mode

2019-06-23 Thread Ali Kusay
Hi James, Just a follow up, I would still recommend you use the script in a file to do this as it is less messy but it can be done: pymol -c -d ' from pymol import cmd cmd.load("A.pdb") cmd.load("B.pdb") cmd.load("C.pdb") cmd.super("C*","A*") cmd.super("B*","A*") cmd.bg_color("white") cmd.save("

[PyMOL] pymol in no-gui mode

2019-06-23 Thread James Starlight
hello there, As a part of my scripting routine, I would like to use pymol in no-gui mode (directly in the linux shell) to do the following things: 1) load in pymol 3 conformations of the same protein, which are defined as A.pdb B.pdb C.pdb 2) superimpose C to A using "super" or alternatively (whic