InteractionPotential

filter pdb, get contact pairs, compute energy : Adrian
Align Structures, minimal RMSD, pictures: Max
- PBD.Superimpose for aligning lists of C_alpha atoms for reference and sample structure
- Ballview for visualization?
buried atoms, atomic packing densities: Edgar

Name		Name	Last commit message	Last commit date
Latest commit History 51 Commits
CASP11		CASP11
__pycache__		__pycache__
report		report
results		results
slides		slides
.DS_Store		.DS_Store
README.md		README.md
T0762ref_4Q5T.pdb		T0762ref_4Q5T.pdb
T0769ref_2MQ8.pdb		T0769ref_2MQ8.pdb
T0776ref_4Q9A.pdb		T0776ref_4Q9A.pdb
T0784ref_4QEY.pdb		T0784ref_4QEY.pdb
compare.csv		compare.csv
contactenergies.csv		contactenergies.csv
density.py		density.py
energies.py		energies.py
plot.py		plot.py
rmsd.py		rmsd.py

maxemil/InteractionPotential