Software
Useful programs for computational physics / computational chemistry on Linux.
Most can be downloaded for free.
General
-
xmgrace:
a great GUI for data analysis and plots.
-
xv:
a simple yet nice picture viewer.
-
gimp:
a sophisticated image processor. Similar to photoshop but free. Included
in Redhat Linux distributions.
-
lam-mpi:
parallel programming and computing platform. Included in Redhat Linux
distributions.
Molecular Visualization
-
xmakemol:
a primitive atomic and molecular viewer. Very useful for a quick glance
of what you have got from your molecular simulation.
-
vmd:
a sophisticated molecular visualization program.
-
molden:
a pre- and post processing program of molecular and electronic structure.
-
molekel:
almost identical functions as molden.
-
molmol:
similar to molden and molekel, maybe more powerful.
Computational Chemistry
-
macromodel
:
a force field simulation tool with GUI. Suitable for simulating large
molecules, especially proteins and protein-ligand complexes. Not free.
-
gaussian:
ab initio molecular simulation package. Can run parallely. Not free.
-
cpmd:
ab initio molecular dynamics simulation with Car-Parrinello
method (faster than basic ab initio method). Can run parallely.
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