General Chemistry

Under MacOS

   

Links

ASAD Source
A software package developed for creating and integrating chemistry schemes in atmospheric models without the need to write any FORTRAN code to solve the chemical rate equations.

Bioinformatics Software Source, Linux, Win32
Profit - Protein least-squares fitting;
QTree - Space filling pictures using the quad-tree algorithm'
MINT - graphical interface to Andrej Sali's Modeller program;
NW - A pairwise Needleman and Wunsch sequence alignment program;
Torsions - Calculates backbone torsion angles from a PDB file.
AVP - Calculates protein void volumes and packing quality
APAT - 'Automated Protein Annotation Tool'

DomainFinder Source, MacOS, Linux
An interactive program for the determination and characterization of dynamical domains in proteins.

POLYRATE Source
A computer program for the calculation of chemical reaction rates of polyatomic species (and also atoms and diatoms as special cases).

simplex Source
Files of FORTRAN software for certain restricted types of optimization problems.

uncmin Source
This is a minimzation package in Fortran.

unimol Source | Source and Manual
Theory of Unimolecular and Recombination Reactions

Weka Java
A collection of machine learning algorithms for solving real-world data mining problems.