Molecular Modeling Related Sites


Advanced Chemistry Development

AMSOL, a semi-empirical program that can handle solvation.
AutoDock 3.0, from Arthur J. Olson's group.

CambridgeSoft

CAVEAT, a de novo ligand design program.
Chemical Information Exchange (CEX)

Daylight Chemical Information Systems

eduSoft, LC

Flex, a simple molecular graphics program for X-Windows.
GAMESS (US), free ab initio quantum mechanical program.
GAMESS (UK), an ab initio quantum mechanical program (not the same is the preceding program).
Gaussian, an ab initio quantum mechanical program.
gOpenMol, free graphical interfacing program.

Hypercube, Inc.

MDL Information Systems, Inc.

Molecular Images, molecular viewing software for Windows.
Molecular Monte Carlo Home Page

Molecular Simulations, Inc.

Molekel, free interactive 3D graphics for molecular sciences.

Oxford Molecular Group

PASS - Prediction of Activity Spectrum for Substance
RasMol, free software for viewing molecular structures.

Schrodinger, Inc.

Spartan Pro, molecular modeling software by Wavefunction, Inc.

Tripos, Inc.

University of Geneva: SWISS-3DIMAGE
University of Wisconcin: Molecular Modelling
WHAT IF, a protein structure analysis program.
X-PLOR

Molecular Modeling Institutes and Other Collections of Links

Computational Chemistry Software Sites
NIH Molecular Modeling Home Page
Scripps Research Institute: Molecular Graphics Laboratory