jadolfbr, 2013 - Please do not use this GUI. It was a beta version of an expanded PyRosetta Toolkit GUI which should be released in Rosetta Version 3.5.
Hi All. Just wanted to share part of an application that I've been working on. It is a Tkinter application for use with Minimization of Proteins and Loops.
It uses the Rosetta Classic Relax, Fast Relax, dfpMin Minimization, and Sidechain movers.
Run it using "python Tkinter_Min_main.py" (All files need to be in the same directory, and the extensions changed to .py)
At any point, if you specify the directory and filename, you can output your pose. It is useful for quick minimization of a whole protein or region, and as a sample basis for writing GUI applications using python and pyrosetta.
Make sure to click the 'Load File' button after choosing your file.
Clicking the 'Show in Pymol' button will use the PyMOL observer feature of PyRosetta to output your pose in PyMol. To use this, if you have not looked into it yet: in PyMol cd into the pyrosetta DIR. Type "run PyMOLPyRosettaServer.py" and you will be ready to go. If you check the 'PyMol Observer' checkbox you can watch rosetta do the relax/backrub/min/sc optimize, and see your pose at all times. Some basic analysis options are provided too. loop rmsd, basic rama output, and FA energy output.
Hope this helps in showing what can be done with PyRosetta, Python, and Tkinter. Enjoy.
Information is displayed in the terminal. Make sure to specify a loop if your doing a loop minimization, a file if your loading a file, etc.
Note that if you have PyMol observer turned on, the calculations can take longer, so be careful. Especially when using relax and backrub, as these already take longer to do.
No folder names with spaces are permitted by rosetta at the moment, even using the escape.