BALLPlugins

BALL Plugins and Tools

This page collects suggestions for components that could be turned into a plugin / !BALLTool. If anything comes to your mind, add it to the following list:

A description of the general BALLPlugin interface can be found here.

Plugins

• Plugins for input device drivers (interface)
• File formats (Molecular/Meshes)
• Minimizers
• Docking algorithms

BALLTools

• Implement common workflows, e.g.:

Normalizing names -> adding/optimizing hydrogens -> delete water -> ...

• Energy evaluation
• Structure comparison perhaps alignment
• Quality checks Structure against Electron density/NMR shifts
• Structure Generator/Modifier