Difference between revisions of "Tutorial"

From MSL-Libraries
Jump to navigationJump to search
(NOTE: the tutorial is under construction)
Line 30: Line 30:
 
** [[Tutorial::CoiledCoils_Bundles| Generating Coiled-coils and Symmetric Bundles]]
 
** [[Tutorial::CoiledCoils_Bundles| Generating Coiled-coils and Symmetric Bundles]]
 
** Generating Fusion Proteins
 
** Generating Fusion Proteins
** Mutating Residues
+
** [[Tutorial::Mutating Residues|Mutating residues and adding additional conformations]]
  
 
* '''Calculating Molecular Properties and Energies'''
 
* '''Calculating Molecular Properties and Energies'''

Revision as of 04:10, 15 July 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