Tutorial

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NOTE: the tutorial is under construction

The tutorial is a collection of articles that illustrate specific features of MSL. Each article explains example programs found in the examples/ subdirectory. Previous knowledge of C++ is assumed.

  • Molecular Modifications, Movements and Computing Geometries
      • Measuring distances, angles, dihedrals
      • Applying translations and rotations
      • Changing conformation
      • Molecular (Structural) Alignments
      • Generating coiled-coils
      • Generating Symmetric Bundles
      • Generating Fusion Proteins
      • Mutating Residues
  • Calculating Molecular Properties and Energies
    • Calculating Solvent Exposed Surface Area
    • Calculating CHARMM Energies
    • Using Statistical Potentials in MSL




  • ""Interfacing with R
    • Calling R from within MSL (including passing data back and forth)