MtsslDock

Type	PyMOL Plugin
Download	plugins/mtsslDock.py
Author(s)	Gregor Hagelueken
License	-
This code has been put under version control in the project Pymol-script-repo

mtsslDock

mtsslWizard is a PyMOL plugin for distance constrained rigid-body docking.

News

2013-07-04:

Version 1.0 submitted to script repository.

If you use this program, please reference:

mtsslSuite: In silico spin labelling, trilateration and distance-constrained rigid body docking in PyMOL, Gregor Hagelueken, Dinar Abdullin, Richard Ward and Olav Schiemann, DOI: 10.1080/00268976.2013.809804

Screen shot

Usage

Installation

• Step 1:

Install the program by copying the code from the link above into an empty text file (e.g. "mtsslDock.py") located in the \Pymol\modules\pmg_tk\startup directory. After PyMOL has been started, the program can be launched from the WIZARDS menu. Alternatively install the wizard via the plugins menu.

• Step 2:

This might be a bit tricky: You will need scipy, numpy and a module called tkintertable (http://code.google.com/p/tkintertable/). You can just download it and put it into the 'site-packages' folder of the Python installation that PyMOL uses. On Windows it is usually the system-wide installation, on my Mac PyMOL uses its own Python: /Applications/PyMOLX11Hybrid.app/pymol/ext/lib/python2.7/site-packages

On my Mac I also had to install a new version of the Pmw module (for the GUI). You can get it here: http://sourceforge.net/projects/pmw/files/Pmw/Pmw.1.3.3/ Install it to /Applications/PyMOLX11Hybrid.app/pymol/modules into a folder called 'Pmw'. You might want to rename the original Pmw folder in case something gets messed up…

mtsslDock has been tested with PyMOL 1.5.

Additional requirements:

• SciPy
• NumPy
• tkintertable

Contact

hagelueken'at'pc.uni-bonn.de

Acknowledgement

Thanks to Jason Vertrees and Thomas Holder for some programming tips.