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Software Resources for Research

Dartmouth researchers have access to many software applications, including those for UNIX and Linux, Windows, and Macintosh.

For more information, see:

To contact a research consultant, e-mail:

SoftwareAvailabilityOSComments
Bioinformatics
mrbayes Discovery Linux Bayesian Inference of phylogeny
msbayes Discovery Linux Complex and flexible comparative phylogeographic inference
Chemistry
autodock Discovery Linux Docking tools, Chemistry
Avogadro Discovery Linux Advanced molecular editor, Computational Chemistry
Babel Discovery Linux

Chemical toolbox, required by Avogadro

CSDS Andes, Polaris Linux

Cambridge Structural Database and tools

Gaussian Andes, Discovery Linux Computational Chemistry. Group license.
Jaguar Discovery Linux Ab initio electronic structure package
namd Discovery Linux Parallel Molecular Dynamics code for large biomolecular systems
nwchem Andes, Discovery Linux Electronic structure and molecular dynamics calculations
Qchem Discovery Linux Electronic Structure calculations
Mathematics
Maple Andes, Polaris, Discovery Linux Mathematical and analytical software
Mathematica Andes, Polaris, Discovery Linux, Windows Mathematical and analytical software
Matlab Andes, Polaris, Discovery Linux, Windows, Mac Mathematical and analytical software
Statistics
R Andes, Polaris, Discovery Linux Statistics, data mining
R-mpi Discovery Linux Statistics, data mining
SAS Andes, Polaris, Desktop Linux, Windows Statistical Analysis software
SPSS KeyServed Windows, Mac Statistical analysis. KeyServed concurrent licenses
Stata Andes, KeyServed Linux, Windows, Mac Statistical analysis. KeyServed concurrent licenses
Data Visualization and Graphics
ecce Polaris, Discovery Linux Computational Chemistry graphical interface to NWChem and Gaussian
gabedit Discovery Linux Graphical user interface to Computational Chemistry
visit Andes, Polaris, Discovery Linux Data analysis and visualization
paraview Andes,Polaris,Discovery Linux Data analysis and visualization
itk Discovery Linux Insight Toolkit Image Processing
idl Andes, Polaris, Discovery Linux Data analysis and Visualization
mgltools Discovery Linux Visualization and analysis of molecular structures
vmd Discovery Mac, Linux, Windows Visual Molecular Dynamics
Compilers
gfortran Andes, Polaris, Discovery Linux GNU Fortran Compilers
gcc Andes, Polaris, Discovery Linux GNU C compilers
Intel Compilers Andes, Polaris, Discovery Linux Fortran, C, C++ compilers
PGI Compilers Andes, Polaris, Discovery Linux Fortran, C, C++ compilers
Math and Scientific Libraries
acml Discovery Linux AMD core libraries
Eigen2 Discovery Linux C++ library for linear algebra, required by Avogadro
fftw Discovery Linux FFT Libraries
fftw-mpi Discovery Linux FFT Libraries, Infiniband built
HDF Discovery Linux Libraries for data management
HDF5 Discovery Linux Libraries for data management
HDF5-par Discovery Linux Libraries for data management, Infiniband built
MKL: Andes, Polaris, Discovery Linux Intel Scientific Libraries
MPICH Andes, Discovery Linux Message passing Libraries for parallel computing, built for gcc, Intel and PGI
MPICH2 Andes,Polaris, Discovery Linux Message passing Libraries for parallel computing, built for gcc, Intel and PGI
mumps Discovery Linux large sparse matrix  solver
mvapich Discovery Linux Message passing Libraries for Infiniband, built for gcc, Intel and PGI
netcdf Andes, Polaris Linux Software libraries for creation, access and sharing array oriented data
scalapack Discovery Linux High performance linear algebra Library
Miscellaneous
ESRI/GIS Network License Windows Remote sensing/GIS
mplayer Discovery Linux Movie player for Linux
ompP Discovery Linux openMP profiler
Qt4 Discovery Linux Croos platform development tool. Required by Avogadro
subversion Andes, Polaris, Discovery Linux Version control
TotalView Discovery, Andes,Polaris Linux Code debugger
Xwin32 Concurrent License Windows Connectivity
Linux Utilities
Ant Andes, Polaris, Discovery Linux Java based built tool (make)
cmake Discovery Linux Linux build utility
mpiexec Discovery Linux MPI parallel job launcher
scons Polaris, Discovery Linux Make utility

Last Updated: 12/14/12