Pinned Loading

1. fort36_analyzer fort36_analyzer Public

   Does several analysis steps on the data file fort.36 (a product of a successful run of MCCE). Is a means for running better statistics.

   Python

2. pk_shift pk_shift Public

   Delivers a graphical representation of the total electrostatic energy of the surface residues of a protein. Includes many other nifty features.

   Python

3. res_energies res_energies Public

   Processes pdb files to generate individual residue energies of an entire protein structure. Can be used in theory to calculate the energy of an unfolded protein.

   Shell

4. respair_interactions respair_interactions Public

   Searches through respair.lst to cleverly pick out certain res - res pairs that violate interaction energy benchmarks defined by user.

   Python