Difference between revisions of "Tutorial"
From MSL-Libraries
Jump to navigationJump to search (→NOTE: the tutorial is under construction) |
(→NOTE: the tutorial is under construction) |
||
| Line 19: | Line 19: | ||
<!-- *** [[Tutorial:Molecular Object Getters | Checking for existance of Atoms, Residues, Chains and getting them]] --> | <!-- *** [[Tutorial:Molecular Object Getters | Checking for existance of Atoms, Residues, Chains and getting them]] --> | ||
*** [[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]] | ||
** Measuring distances, angles, dihedrals | ** Measuring distances, angles, dihedrals | ||
** Applying translations and rotations | ** Applying translations and rotations | ||
Revision as of 19:31, 20 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
