Difference between revisions of "Tutorial"

Revision as of 13:39, 18 March 2010

The tutorial is a collection of articles that illustrate specific feature of MSL by explaining example programs found in the examples/ subdirectory.

Getting started
- Getting MSL
  - Getting started: Downloading MSL
- Compiling
Molecular objects: atoms, residues, chains...
- Read and write coordinates to/from files
  - Reading a PDB file with the simpler molecular object: the AtomContainer
  - Reading a PDB file with the complex molecular object: the System
- Interacting and manipulating molecular objects
  - Looping over Chains, Residues, Atoms in the System
  - Checking for existance of Atoms, Residues, Chains and getting them
- Measuring distances, angles, dihedrals
- Applying translations and rotations
- Changing conformation
- Molecular alignments
- Calculating Solvent Exposed Surface Area

@@ Line 1: / Line 1: @@
 === NOTE: the tutorial is under construction ===
+The tutorial is a collection of articles that illustrate specific feature of MSL by explaining example programs found in the [http://mslib.svn.sourceforge.net/viewvc/mslib/trunk/examples/ examples/] subdirectory.
 * '''Getting started'''
@@ Line 15: / Line 17: @@
 *** [[Tutorial:Looping over Chains, Residues, Atoms in the System| Looping over Chains, Residues, Atoms in the System]]
 *** [[Tutorial:Molecular Object Getters | Checking for existance of Atoms, Residues, Chains and getting them]]
+** Measuring distances, angles, dihedrals
+** Applying translations and rotations
+** Changing conformation
+** Molecular alignments
+** Calculating Solvent Exposed Surface Area