[PyMOL] More on Plugins

2004-07-14 Thread Kaushik Raha
Hello, Since it is plugin season, I thought of contributing too. I have a plugin which is very specific to my research needs in structure based drug design. It marries the PyMOL interface with other command line software packages, such as DivCon and AMBER. Both these packages can be obtained

RE: [PyMOL] Plug-in Menu

2004-07-14 Thread Warren DeLano
Charles, Simply awesome! It works great on Windows and Mac too... Folks, I think we've finally hit on a workable paradigm for extending PyMOL's capabilities via these lightweight, end-user-installable plugins. You have my full encouragement -- go crazy with this stuff! This grass-roots user-dri

Re: [PyMOL] Plug-in Menu

2004-07-14 Thread Charles Moad
Thanks for the info. Using your APBS as an example I made a very simple remote pdb loader. You can check it out at "http://euclid.uits.iupui.edu/~cmoad/pymolPlugins/"; or download it directly from "http://euclid.uits.iupui.edu/~cmoad/pymolPlugins/remote_pdb_load.py";. It is inspired from c

[PyMOL] PyMOL + APBS for easy, accurate electrostatics calculations

2004-07-14 Thread Michael George Lerner
Hi all, APBS (http://agave.wustl.edu/apbs/) is a package that allows you to perform very fast, accurate electrostatics calculations. I've written a PyMOL plugin that allows you to run APBS and visualize the results very easily from within PyMOL (version 0.96 or higher). The plugin lets you confi

Re: [PyMOL] Plug-in Menu

2004-07-14 Thread Michael George Lerner
Hi, There's some example code in pymol/modules/pmg_tk/startup/__init__.py. You can see how it works by copying it (uncommented) into a new file and placing that file in pymol/modules/pmg_tk/startup. You'll see the new plugins the next time you start PyMOL. I have a larger plugin that I've writte

[PyMOL] Plug-in Menu

2004-07-14 Thread Charles Moad
I am interested in developing some simple plugins for the new release, and I was wondering if there was a document or api specifying how to go about this. As the subject says, for example, how do you add a plugin entry to the new menu bar list. Thanks, Charles Moad Scientific Data Analysis