Old Work

Structure Biology


Principal Motion Analysis - a package designed to reconstruct the intrinsic motions of proteins in a ensemble recorded by cryo-electron microsopy. more ...


This script is written in AWK to test computing abilties of AWK and an implementation of quaternion based 3D alignment procedures. The script ist designed to align PDB structures and to be easily enhanced. One fork is written by Andre Wildberg to align structures with gaps. more ...


This language is very common in science and other fields to modify software and enable scripting. Even if Python is not very fast and often used with a huge overhead of libraries, it will enable easy access to fast C functions.


Is a tutorial how to call and use C++ libraries in Python without using a C-wrapper. It was created to integrate the PMA package into Chimera, which is scripted in Python. more ...