LMS
Home
Workshops
CHEM689
CHEM242
Publications
Supercomputers
qprep
Utilities
UNIX help

Software
ADF ADF-BAND
AMBER
AOMIX
Cerius2
CHARMm
CRYSTAL
Dalton
Gaussian
GaussView
Grasp
InsightII
Macromodel
Materials Studio
Molden
MOLPRO
MOLEOnline
NAMD
Pymol
Q-Chem
Quanta
SPOCK
TINKER
Other Software

Page updated on
Feb 21 2007
Web page created
on a Mac and powered by Linux

Laboratory for Molecular Simulation
Director: Michael B. Hall Manager: Lisa M. Pérez
Phone: (979) 845-9384Fax (979) 845-2971Rm. 2109 Chemistry
e-mail: mouse@mail.chem.tamu.edu

PyMOL
by Delano Scientific

PyMOL is a molecular graphics system with an embedded Python interpreter designed for real-time visualization and rapid generation of high-quality molecular graphics images and animations. It can also perform many other valuable tasks (such as editing PDB files) to assist you in your research.

PyMOL Homepage Manual Running Pymol Patches Trouble-Shooting

Please cite PyMOL in publications and presentations:
Warren L. DeLano "The PyMOL Molecular Graphics System."
DeLano Scientific LLC, San Carlos, CA, USA. http://www.pymol.org

Running PyMOL

chmsgi and any SGI machine that is running IRIX 6.5 or later and has chmsgi:/chem mounted you will need to add the following alias to your .tcshrc file:

alias pymol /chem/pymol/pymol_0.95/pymol.com

k2 - you will need to add the following alias to your .tcshrc file:

alias pymol /usr/local/lms/pymol/pymol_0.95/pymol.com

PyMOL is also available for MacOS X/X11, PC, Sun, and Linux. Please visit the PyMOL Homepage to download the executables for these other platforms.

Trouble-Shooting

error:

pymol: Command not found.

The alias that you created in your .tcshrc is either incorrect or has not been activated yet. Check the line in your .tcshrc file and make sure it matches the commands given above. To activate the modified .tcshrc you may log out and log back in or simply type:

source   .tcshrc

The source command will activate any changes made to your .tcshrc file.

If you are running on a remote machine and you receive the error:

Xlib: connection to "labmol4.chem.tamu.edu:0.0" refused by server
Xlib: Client is not authorized to connect to Server
Error: Can't open display:labmol4.chem.tamu.edu:0.0

(where labmol4.chem.tamu.edu will be replaced by the local machine name)

You need to use X11 forwarding to access the remote machine (ssh -X username@remote_machine_name or you may also need to use the -Y flag ssh -X -Y username@remote_machine_name )


Texas A&M University | Department of Chemistry | College of Science | Webmaster