Difference between revisions of "Tutorial"

From MSL-Libraries
Jump to navigationJump to search
Line 36: Line 36:
 
** Calculating Solvent Exposed Surface Area
 
** Calculating Solvent Exposed Surface Area
 
** Calculating CHARMM Energies
 
** Calculating CHARMM Energies
 +
** Using Statistical Potentials in MSL
  
  

Revision as of 15:02, 2 April 2010

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


  • Using MSL Supporting Classes
    • Parse command line options