BLAST, (Basic Local Alignment Search Tool) sequence similarity search tool for protein and DNA.
Arches Clusters
Cambridge Structural Database System (CSDS) is a package containing the Cambridge Structural Database of crystallographic data adn a set of tools to access the database.
Matlab a high-level technical computing language and interactive environment for algorithm development, data visualization, data analysis, and numerical computation..
Arches Clusters
Maui Scheduler The Maui Scheduler is a software tool designed to allow flexible and near-optimal scheduling in a multi-resource h
igh-performance computing environment.
Molden
A package for viewing molecular structures/molecular orbitals/electron densities that
works with a variety of different programs including Gaussian, Gamess, and Molpro.
Arches Clusters
Molproab initio quantum chemistry program with emphasis on highly
accurate computations and extensive treatment of the electron correlation.
mpiBLAST, MPI version of BLAST sequence similarity search tool for protein and DNA: mpiBLAST segments the BLAST database and distributes it across cluster nodes allowing BLAST queries to be processed on multiple nodes simultaneously.
Arches Clusters
NAG Library Numeric Algorithms Group mathematic Fortran and C subroutines library.
Arches Clusters
NWChem a computational chemistry
package developed at the Pacific Northwest National Laboratory> that is geared for
efficiency running on a large number of processors. It has both quantum mechanics,
combined quantum and molecular mechanics, and molecular dynamics capabilities.
Arches Clusters
Open Babel a program designed to interconvert a number of file formats currently used in
molecular modeling.
Screen - CHPC Software: Use of Linux command "screen", CHPC strongly suggests that users consider using screen for running applications or commands from a remote session that may be active for a long period of time.
