Difference between revisions of "Tutorial"
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** [[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.
- 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 and Symmetric Bundles
- Generating Fusion Proteins
- Mutating residues and adding additional conformations
- Calculating Molecular Properties and Energies
- Calculating Solvent Exposed Surface Area
- Calculating CHARMM Energies
- Using Statistical Potentials in MSL
- Using MSL Supporting Classes
- Interfacing with PyMOL
- Using the PyMolVisualization object to write out PyMOL script files
- Using the PythonMSL object to call MSL from within PyMOL
- Interfacing with R
- Calling R from within MSL (including passing data back and forth)
- Cartesian Minimization
- Minimization of a simple System of atoms
