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 |
| − | + | *** Applying translations and rotations | |
| − | + | *** 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 | ||
| − | ** | + | ** 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.
- Getting started
- Molecular objects: atoms, residues, chains...
- Read and write coordinates to/from files
- Interacting and manipulating molecular objects
- 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
