AlphaSpace2 is a surface topographical mapping tool. Based on the algorithm of original AlphaSpace published here, the alphaspace2 is a rewritten implementation with multiple new features are added for a more friendly user interface and performance boost.
The documentation can be found at
Key features:
- Clear and pythonic object based API for manipulation of pockets, alpha atoms, and communities.
- Integrated trajectory loading and interpretation from mdtraj.
- Create Chimera script for publication quality visualization
- Provide new beta score for beta atoms
python
cython
numpy
scipy
mdtraj
You can install the package with pip command:
pip install alphaspace2
To install the latest version
git clone https://github.com/lenhsherr/AlphaSpace2.git\
cd AlphaSpace2
pip install -e ./