Difference between revisions of "Tutorial"
From MSL-Libraries
Jump to navigationJump to search| Line 29: | Line 29: | ||
** 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: | + | ** [[Tutorial:Using regular expression: Selecting sequence motifs of a Chain|Using regular expression: Getting parts of a structure that match a sequence motif of interest]] |
Revision as of 22:38, 31 March 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
- Looping over Chains, Residues, Atoms in the System
- Getting Chains, Residues, Atoms by id
- Passing atoms between objects: the AtomPointerVector
- Selecting subsets of atoms
- Measuring distances, angles, dihedrals
- Applying translations and rotations
- Changing conformation
- Molecular alignments
- Calculating Solvent Exposed Surface Area
- Mutating Residues
- Generating coiled-coils
- Generating Symmetric Bundles
- Generating Fusion Proteins
- Using regular expression: Getting parts of a structure that match a sequence motif of interest
