Difference between revisions of "Tutorial"

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*** [[Tutorial:Passing atoms between objects: the AtomPointerVector | Passing atoms between objects: the AtomPointerVector]]
 
*** [[Tutorial:Passing atoms between objects: the AtomPointerVector | Passing atoms between objects: the AtomPointerVector]]
 
*** [[Tutorial:Selecting subsets of atoms|Selecting subsets of atoms]]
 
*** [[Tutorial:Selecting subsets of atoms|Selecting subsets of atoms]]
** Measuring distances, angles, dihedrals
+
*** [[Tutorial:Using regular expression:  Selecting sequence motifs of a Chain|Using regular expression:  Getting parts of a structure that match a sequence motif ]]
** Applying translations and rotations
+
 
** Changing conformation
+
* '''Molecular Modifications, Movements and Computing Geometries'''
** [[Tutorial:Molecular alignments| Molecular (Structural) Alignments]]
+
*** Measuring distances, angles, dihedrals
** Calculating Solvent Exposed Surface Area
+
*** Applying translations and rotations
** Mutating Residues
+
*** Changing conformation
 +
*** [[Tutorial:Molecular alignments| Molecular (Structural) Alignments]]
 
** Generating coiled-coils
 
** Generating coiled-coils
 
** Generating Symmetric Bundles
 
** Generating Symmetric Bundles
 
** Generating Fusion Proteins
 
** Generating Fusion Proteins
** [[Tutorial:Using regular expression:  Selecting sequence motifs of a Chain|Using regular expression:  Getting parts of a structure that match a sequence motif ]]
+
** Mutating Residues
 +
 
 +
 
 +
* '''Calculating Molecular Properties and Energies'''
 +
** Calculating Solvent Exposed Surface Area
 +
** Calculating CHARMM Energies

Revision as of 21:43, 1 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
    • Generating coiled-coils
    • Generating Symmetric Bundles
    • Generating Fusion Proteins
    • Mutating Residues


  • Calculating Molecular Properties and Energies
    • Calculating Solvent Exposed Surface Area
    • Calculating CHARMM Energies