Pinned Loading

1. fort36_analyzerfort36_analyzerPublic

   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_shiftpk_shiftPublic

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

   Python

3. res_energiesres_energiesPublic

   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_interactionsrespair_interactionsPublic

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

   Python