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Instructions for Installing and Running MGLTools from Source

by Sargis Dallakyan last modified 2008-03-28 11:29


Installation Instructions

1) Download and untar mgltools_source_1.5.1.tar.gz.
gunzip mgltools_source_1.5.1.tar.gz
tar xvf mgltools_source_1.5.1.tar.gz
tar zxvf mgltools_source_1.5.1.tar.gz
2) Go to mgltools_source_1.5.1 directory.
cd mgltools_source_1.5.1
3) Run the installation script "startInstallation".

This script uses the Python interperter available on your machine to install all the packages.
NOTE: By default MGLTools packages are installed in sys.exec_prefix/lib/python2.5/site-packages/MGLToolsPckgs
Other locations can be specified during the installation process.
runPmv, runAdt and runVision scripts are installed at user specified location.
Also, during the installation process, the user is asked whether or not he wants to install Numeric. If the user chooses to install Numeric, it will be installed in sys.exec_prefix/lib/python#version#/site-packages (required location). The user must have write permission to this directory.
The installation script will try to install to sys.prefix/lib/python#version#. If it fails due to file permissions, the user is asked to copy this file manually.
The user has to install Python Imaging Library (PIL) located in THIRDPARTY directory manually. Follow the installation instructions in THIRDPARTY/Imaging-1.1.5/README file.

4) Download and install package called 'binaries' (optional).

Package 'binaries' contains executables for APBS and Qhull. Refer to README file for the installation instructions.

Launching ADT, PMV or Vision

  • Type: runPmv at a command prompt.

A Python Molecule Viewer should come up. You can load files from the Data directory and start playing with Pmv.


Problems with Tkinter support.
If you get ImportError: No module named _tkinter, you might need to reinstall Python with Tkinter support.
 Cannot find -ltclstub8.4.
 Install tcl-devel-8.4.
 ImportError: No module named PIL.
 Install PIL located in mgltools_source_1.5.1/THIRDPARTY/Imaging-1.1.5. Make sure to compile with JPEG and PNG support as described in Prerequisites section in the README.
Problems building Python extensions such as geomutilis.
Our wrappers are build with SWIG version 1.3.31. You might get g++ error messages if your SWIG version is different.
Windows users
Click here for instructions on how to build Python extensions.
Problem with undefined symbol: glBlendEquationSeparateATI?
A quick fix for this problem is to remove/comment glBlendEquationSeparateATI from your /usr/include/GL/gl.h and rebuild opengltk package. Please see Bug 834. See also: Using hardware accelerated 3D renderer on Linux.

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