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Chemistry

Upper category: Scientific applications - Recently modified pages (2) - Submit an URL

BLAST: a sequence similarity search tool supporting analysis of nucleotide and protein databases.
Last modification on December 19 2000.
GAMESS: quantum chemistry.
Last modification on June 10 1999.
Gaussian: an electronic structure program for chemists.
Last modification on November 30 2000.
AMBER: simulation of biomolecules and molecular simulation programs.
Last modification on December 14 2000.
ChemApp: a programmable thermodynamic calculation interface.
Last modification on December 14 2000.
MOLMOL: molecular graphics program for displaying, analyzing, and manipulating the 3D structure.
Last modification on April 2 2000.
Weber's Java codes: various Java codes for visualization in crystallography area.
Last modification on September 21 1999.
Protein Structure Software: programs and C libraries.
Last modification on September 14 2000.
NAMD: parallel, object-oriented molecular dynamics program.
Last modification on December 29 2000.
Raster3D: set of tools for generating high quality raster images of proteins or other molecules.
Last modification on November 28 2000.
RasMol: molecular graphics program intended for the visualisation.
Last modification on December 12 2000.
Cn3D: a molecular structure viewer that is based on the Entrez data model.
Last modification on June 20 2000.
MolScript: a program for displaying molecular 3D structures.
Last modification on December 30 2000.
NWChem: high performance computational chemistry software.
Last modification on November 14 2000.
PROCHECK: programs to check the stereochemical quality of protein structures.
Last modification on November 16 2000.
TINKER: a package for molecular mechanics and dynamics of molecules, especially polypeptides.
Last modification on December 5 2000.
MODELLER: a program for homology protein structure modelling by satisfaction of spatial restraints.
Last modification on April 26 2000.
Dalton: a quantum chemistry program for molecular properties.
Last modification on December 21 2000.
gOpenMol: graphics interface to the OpenMol set of programs.
Last modification on May 22 2000.
DL_POLY: a parallel molecular dynamics simulation package.
Last modification on April 4 2000.
GROMACS: a set of molecular dynamics code and analysis tools for parallel computers.
Last modification on December 13 2000.
PALLAS: software predicting pKa,logP, logD values and metabolites.
Last modification on May 17 1999.
steric: a program for the calculation of molecular steric parameters.
Last modification on March 27 1996.
POLYRATE: calculation of chemical reaction rates of polyatomic species.
Last modification on November 8 2000.
SCWRL: a program for adding sidechains to a protein backbone.
Last modification on March 6 1998.
MOLCAS: a quantum chemistry software for molecular systems.
Last modification on December 21 2000.
DeFT: a quantum mechanical and Gaussian density functional program.
Last modification on September 1 1998.

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