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Software Collection Details
Cherry L. Emerson | Alumni of the Center | Hardware Facilities | Software Collection Details | Lectureship Award | Visiting Fellowship Award | Picture Gallery | Contacts
Emerson Center has in its pocession the following powerful system
and application software packages:
Powerful molecular structure codes such as: Gaussian-03; Molpro 2006.1;
Gamess-US-2006 (parallel) interfaced with TINKER 4.2 for flexible description
of solvent effects on molecular interactions; DALTON 2.0 suitable for
high accuracy spectroscopic predictions; ACES-II; ACES-II(M) version from
the developers in Mainz, Germany; VASP (parallel); Turbomole; Hondo_8.4;
Cadpac_5.2; Molcas_4.0; and many others.
Molecular Modeling codes: Amber-6.0; Cerius_2/3.x (we have license only
to the following modes: Visualizer, Crystal Builder, Minimizer, Open Force
Field, Gaussian Interface, Force Field Editor and Dynamics); HyperChem_4.5;
TINKER 4.3 suite of molecular design codes
Visualization Codes: Spartan-4.0; Molden-3.4; Molecule-2.4 (for Macintosh
only); GaussView_2.08; xmakemol for Linux available on Fire.
We also provide two powerful databases to our users: Quantum Chemistry
Literature Data Base, QCLDB (version of year 2000), including more than
53,000 literature, and MDL (Molecular and Reactions DataBase, version
year 2000)
| Gaussian-03 | Molpro-06 | Gamess-US-06 | ACES-II (M) |
| Columbus | Turbomole | NWChem | Dalton 2.0 |
| Amber 6.0 | Jaguar | VASP | TINKER 4.3 |
| MM3 | Octopus 1.3 | GROMACS 3.3 | RIOTS |
| MATLAB R6a | Molden 3.4 | Mathematica 5.2 | Sybil 6.7 |
| QCLDB 99 |
