MSL Programs

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  • getSelection
  • getSurroundingResidues
  • getDihedrals a program to get phi/psi and chi angles of a given structure. Can also give you probabilities and propensities for each angle.
  • repackSideChains a program to repack sidechains
  • energyTable a program to generate an energy table for repacking and/or designing sidechains
  • optimizeMC a program to optimize an energy table (selects minimum energy side chains for repack/design runs)