Difference between revisions of "Tutorial"

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** Changing conformation
 
** Changing conformation
 
** [[Tutorial:Molecular alignments| Molecular (Structural) Alignments]]
 
** [[Tutorial:Molecular alignments| Molecular (Structural) Alignments]]
** Generating Coiled-coils
+
** Generating Coiled-coils and Symmetric Bundles
** Generating Symmetric Bundles
 
 
** Generating Fusion Proteins
 
** Generating Fusion Proteins
 
** Mutating Residues
 
** Mutating Residues

Revision as of 15:27, 16 May 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.

  • 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)
  • Cartesian Minimization
    • Minimization of a simple System of atoms