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pymol

Cheat Sheet

Cook Book

Startup file of pymol on windows

On Windows, use 'pymolrc', 'pymolrc.py' or 'pymolrc.pym'. For global defaults (all users), you can place a .pymolrc file in C:\Program Files\DeLano Scientific\PyMOL (or C:\Program Files\PyMOL\PyMOL). You can launch PyMOL from the applications menu or from the icon on your desktop (if you placed one there).

Change coordinates by mouse

  • Click “Mouse Mode” until you see “3-Button Editing”, and then use mouse following the instruction Ref
    • Shift + left click to rotate
    • Shift + middle click to translate
  • Ctrl + right click on a bond to show dihedral angle
  • Ctrl + left click and drag to change dihedral angle

Electrostatic surface

Change number of threads

RNA/DNA representation

Make a movie

cmd.movie.add_roll(2.0, axis='y', start=1)
set ray_trace_frames, 1
mpng snapshot/mov

# after that you can convert the snapshots into animation under Linux by
# convert -delay 20 snapshot/*.png out.gif

Installation

From compiled package

  • Unpack it and run ./setup.sh
  • copy the created “pymol” to /home/usr/bin

From source

Tutorial

pymol.txt · Last modified: 2020/04/11 14:52 by 127.0.0.1