Development of Python library for standardized generation and evaluation/characterization of protein structural ensembles.
The following packages/tools are needed:
- numpy
- scipy
- matplotlib
- biopython
- ProDy: https://github.com/prody/ProDy
- NAMD: https://www.ks.uiuc.edu/Research/namd/
- VMD: https://www.ks.uiuc.edu/Research/vmd/
- PyTraj: https://amber-md.github.io/pytraj/latest/index.html
Available in PDF