University of Tuebingen Lehrstuhl Kognitive Systeme, Prof Dr. Zell
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Index

Atom
access, Access atoms and bonds of a molecule
see also Bond, access
add, Modify molecules
Bond
access, Access atoms and bonds of a molecule
add, Modify molecules
Descriptor, Descriptors
Atom properties, Atom properties
Fingerprints, Fingerprints
Primitive/Native, Native values
Transformations, Transformations
Radial Distribution function, Radial distribution function (RDF)
Examples, JOELib examples and code snippets
Molecule, Molecule operation methods and classes
access atoms, Access atoms and bonds of a molecule
add atoms, Modify molecules
examples, Molecule

Last changes: 08.12.2010, 16:53 CET (UTC/GMT +1 hour) wegner.
http://www.ra.cs.uni-tuebingen.de/software/joelib/tutorial/index.html
2003 University of Tübingen, Germany