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  1. Research
  2. » Facilities
  3. » Molecular Modeling

Software Packages

On Workstations

Cambridge Structure Database

Gaussian/GaussView

Maestro/MacroModel

Spartan

TURBOMOLE

COMSOL [License restricted to contributing groups]

Mathematica

Matlab

PyMol

VMD

Vina

On Cluster

Gaussian/GaussView

TURBOMOLE

Molpro

CP2K

GAMESS

Gromacs

NAMD

COMSOL [License restricted to contributing groups]

Mathematica

Matlab

PyMol

VMD

Vina

 

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University of California, Irvine
Department of Chemistry
Natural Sciences II
Irvine, CA 92697

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