Originally written by "m.j.louhivuori@rug.nl"
This package is distributed as-is under the GNU General Public License found in the file LICENSE.
A quick glance of the modules included gives:
Atom -- Molecular primitives, starting from atoms and building up to polypeptides etc. Can be used to build or store molecules.
aux -- Auxiliary functions. List intersections, quicksort etc.
Biology -- At the moment only parse_sequence().
Interface -- Front-end to external programs such as Pales.
IO -- Input/output interface for different data formats, e.g. PDB.
Library -- Dictionaries and translation codeces used to convert from one naming convention to another.
Linguistics -- Actual translators to do the job.
Logic -- Simple wrapper functions for chaining together complex logical expressions.
Math -- Mathematical algorithms.
mpi -- Multi-processor interface. (untested)
NMR -- NMR specific data structures. Dipolar coupligns etc.
Physics -- Algorithms to calculate various physical quantities from the center of mass to electrostatic potentials.
svd -- Implementation of Singular Value Decomposition.
Happy hacking!