pymol - free and flexible molecular graphics and modelling package
pymol [options] [files]
Over the years, PyMOL has become a capable molecular viewer with support for animations, high-quality rendering, crystallography, and other common molecular graphics activities. It has been adopted by many hundreds (perhaps even thousands) of scientists spread over thirty countries. However, PyMOL is still very much a work in progress, with development expected to continue for years to come.
These options are currently supported:
- Start in two-button mouse mode.
- Command line mode, no GUI. For batch operations.
- -d string
- Run pymol command string upon startup.
- Start in full-screen mode.
- -f #line
- Controls display of commands and feedback in OpenGL (0=off).
- -g file.png
- Write a PNG file (after evaluating previous arguments)
- Disable the internal OpenGL GUI (object list, menus, etc.)
- -l file.py
- Spawn a python program in new thread.
- Disable security protections for session files.
- Listen for commands on standard input.
- Quiet launch. Suppress splash screen & other chatter.
- -r file.py
- Run a Python program (in __main__) on startup.
- -s script
- Save commands to this PyMOL script or program file.
- Use Tcl/Tk based external GUI module (pmg_tk).
- -u script
- Load and append to this PyMOL script or program file.
- Disable the external GUI module.
- Enable blue-line stereo signal (for Mac stereo)
- Start in Game mode.
- Force mono even when hardware stereo is present.
- Launch Greg Landrum's XMLRPC listener.
- Force and launch in stereo, if possible.
- -X int -Y int -W int -H int -V int
- Adjust window geometry.
All files provided will be loaded or run after PyMOL starts. They can have one of the following extensions:
.pml PyMOL command script to be run on startup .py[cm] Python program to be run on startup .pdb Protein Data Bank format file to be loaded on startup .mmod Macromodel format to be loaded on startup .mol MDL MOL file to be loaded on startup .sdf MDL SD file to be parsed and loaded on startup .xplor X-PLOR Map file (ASCII) to be loaded on startup .ccp4 CCP4 map file (BINARY) to be loaded on startup .cc ChemDraw 3D cartesian coordinate file .pkl Pickled ChemPy Model (class "chempy.model.Indexed") .r3d Raster3D file .cex CEX file (Metaphorics) .top AMBER topology file .crd AMBER coordinate file .rst AMBER restart file .trj AMBER trajectory .pse PyMOL session file .phi Delphi/Grasp Electrostatic Potential Map
For a list of options, you can also enter the following in the command line of pymol:
- help launching
Please refer to PyMols online documentation at http://www.pymolwiki.org/index.php/Category:Commands or its internal help for a command reference.
This manpage was written by Daniel Leidert <firstname.lastname@example.org> for the Debian distribution (but may be used by others).