Universal Molecular Modeling Software List


Note: This information is provided for convenience only. No endorsement of any hardware of software should be inferred.

AbM BP Oxford Molecular
AMBER MM, MD
Peter Kollman, UCSF
AMPAC QM A. Holder, Semichem, Inc., 7204 Mullen, Shawnee, KS 66216
AMSOL QM Chris Cramer, D. Truhlar, Univ. of Minnesota
APEX-3D DD DCL Systems International, Ltd.
AutoDock DD Garrett M. Morris, David S. Goodsell, Ruth Huey, William E. Hart, Scott Halliday, Arthur J. Olson
Babel U
Pat Walters, Univ. of Arizona
Brookhaven Protein Data Bank (PDB) DB, BP Brookhaven National Laboratory
CAChe MP, P CAChe Scientific, Inc. (Oxford Molecular)
Cambridge Structural Database (CSD) DB Cambridge Crystallographic Data Centre
CAVEAT DD Paul Bartlett, UC Berkley
CHARMm MM, MD Molecular Simulations, Inc.
CHARMM MM, MD

Documentation: Rick Venable, FDA/CBER; WWW site: M. Karplus, Harvard Univ., Dept. of Chemistry, 12 Oxford Street, Cambridge, MA 02138; CHARMM timing tests available from Milan Hodoscek, National Institute of Chemistry, Slovenia.
Chem-X MP, DD, P xxx Chemical Design, Inc., 200 Route 17 South, Ste. 120, Mahwah, NJ 07430
ChemDBS-3D DD, DB xxx Chemical Design, Inc., 200 Route 17 South, Ste. 120, Mahwah, NJ 07430
CHIME G, P MDL Information Systems, Inc.
ClogP DD, P Biobyte
CMR DD Biobyte
CLIP DD Institute of Medicinal Chemistry, Univ. of Lausanne
Composer BP, MB Tripos, Inc.
CONCORD MB xxx Tripos, Inc.
CS ChemOffice Pro MP, P CambridgeSoft Corp.
DGEOM 95 MB QCPE, Indiana Univ.
DGII MB xxx , Indiana Univ.
DISCO DD Tripos, Inc.
Discover MM, MD
Molecular Simulations, Inc.
DMol QM Molecular Simulations, Inc.
DOCK DD
Irwin Kuntz, UCSF
DSSP BP, DB
C. Sander, EMBL
EGO MD
H. Heller, Ludwig Maximilians Univ., Munich
GALAXY   AM Technologies, inc
GAMESS QM M. Gordon, Iowa State Univ.
GASP DD Tripos, Inc.
Gaussian QM Gaussian, Inc., 4415 Fifth Ave., Pittsburgh, PA 15213
GEMM G, BP xxx B.K. Lee, National Cancer Institute, NIH
GERM (Genetically Evolved Receptor Models) DD xxx D.E. Walters, Chicago Medical School, Department of Biological Chemistry, 3333 Green Bay Road, North Chicago, IL 60064
gOpenMol G
Center for Scientific Computing
GRAMM BP, P Ilya A. Vakser, Rockefeller Univ.
GRASP G

A. Nicholls, Columbia Univ.
GROMOS MD Biomos B.V., The Netherlands
GROMACS MD H.J.C. Berendsen, Univ. of Groningen, The Netherlands
HASL DD eduSoft, P.O. Box 1811, Ashland, VA 23005
HBPLUS BP

I.K. McDonald, University College, London
HINT DD eduSoft, P.O. Box 1811, Ashland, VA 23005
Homology BP, MB Molecular Simulations, Inc.
HONDO QM xxx IBM, Neighborhood Road MLMA/428, Kingston, NY 12401
HyperChem MP, P
HyperCube, Inc.
ICM BP, MM, MC
MolSoft, LLC
Iditis BP, DB Oxford Molecular
Insight II MP Molecular Simulations, Inc.
ISIS DB, P MDL Information Systems, Inc.
Jaguar QM Schrödinger, Inc.
Leapfrog DD Tripos, Inc.
LIGPLOT DD, BP
A. Wallace, Univ. College, London
Look/GeneMine BP, MB Chris Lee, UCLA
Ludi DD Molecular Simulations, Inc.
MacMolecule/
PCMolecule		 G, P

Molecular Ventures, Inc.
MacroModel MP Schrödinger, Inc.
MAGE G, P D. Richardson, Duke Univ.
Match xxx Fred Cohen, UCSF
MC-SYM BP
F. Major, Univ. of Montreal
MidasPlus G, BP Tom Ferrin, UCSF
MM3 xxx
Dr. N. L. Allinger and co-workers, University of Georgia
MODELLER BP
Andrej Sali, Rockefeller Univ.
Moil MD Ron Elber, Univ. of Illinois at Urbana-Champaign
Moil-View G C. Simmerling, Univ. of Illinois at Chicago
Molconn-z DD eduSoft, P.O. Box 1811, Ashland, VA 23005
MOLEKEL G Peter F. Flükiger, Centro Svizzero di Calcolo Scientifico, Switzerland
MOLGEN+ P
Univ. of Bayreuth, Germany
MolScript G
Per Kraulis, Karolinska Institute, Center for Structural Biochemistry, Novum, S-141 57 Huddinge, Sweden
MoluCAD   New River Kinematics, 4767 Wurno Road, Pulaski, VA 24031
MolView G, P Tom Smith, Indiana Univ.-Purdue Univ., B-135 Lilly Hall of Life Sciences, 49-48038.
MOPAC 93 QM, P QCPE, Indiana Univ.
NAB BP
T. Macke, Scripps Research Institute
NAMOT BP

Chang-Shung Tung, Los Alamos
NanoVision G, BP, P American Chemical Society Software
NAOMI BP

S. Brocklehurst, Oxford Centre for Molecular Sciences, Department of Biochemistry, Univ. of Oxford. (Note: NAOMI documentation is mirrored at NIH by arrangement with Simon M. Brocklehurst).
NT-NMRPipe BP
Resonance Designs, Inc.
"O" X, G

Morten Kjeldgaard, Aarhus Univ., Denmark
PDBTool BP
Philip E. Bourne, Columbia Univ.
PKalc DD, P CompuDrug NA, Inc.
PovChem G
Paul Thiessen, Univ. of Illinois
PrologD DD, P CompuDrug NA, Inc.
PrologP DD, P CompuDrug NA, Inc.
PROSA II BP

Manfred J. Sippl, Center of Applied Molecular Engineering, University of Salzburg, Jakob-Haringer Str. 1, A-5020 Salzburg, Austria
QUANTA MP Molecular Simulations, Inc.
QUEST DB Cambridge Crystallographic Data Centre
RasMol G, P

Roger Sayle, Glaxo Research and Development, UK. The WWW site is at the Univ. of Massachusetts, Amherst. The RasMol documentation is mirrored at NIH.
Raster3D G

Ethan Merritt, Univ. of Washington via Univ. of Zurich; Documentation from Univ. of Zurich
Ribbons G, BP M. Carson, Center for Macromolecular Crystallography, Univ. of Alabama
SCARECROW G Leif Laaksonen, Center for Scientific Computing
SCULPT BP Mark Surles, Interactive Simulations, Inc.
Setor G xxx Stephen V. Evans, Department of Biochemistry, Univ. of Ottawa, Ottawa, Canada, K1H 8M5
Spartan QM Wavefunction, Inc., 18401 Von Karman, Ste. 370, Irvine, CA 92715
STRUCTURELAB BP J.V. Maizel, NCI, Laboratory of Mathematical Biology
SYBYL MP Tripos, Inc.
UniChem QM Cray Research
3DB Unity DB, DD Tripos, Inc.
Visual Molecular Dynamics (VMD) G, MD

Theoretical Biophysics Group, Univ. of Illinois, Urbana-Champaign
WebLab G, P
MSI
What If BP
G. Vriend, EMBL
XMol G
Minnesota Supercomputer Center, Inc.
X-PLOR X
Axel Brunger, Yale Univ.
XtalView X
Duncan McRee, Scripps Research Institute
ZINDO QM xxx Rajiv Bendale, Quantum Theory Project, Department of Chemistry, Univ. of Florida, Williamson Hall, Gainesville, FL 32611


Legend

BP Biopolymers MD Molecular Dynamics X Crystallography
G Molecular Graphics DB Database MM Molecular Mechanics
DD Drug Design MP Multipurpose QM Quantum Mechanics
MC Monte Carlo U Utility MB Model Building
P Available for Personal Computers xxx xxx xxx xxx
The following icons represent links to remote sites:

to a primary Web site
to a Web site for documentation
to an ftp site
to a gopher site