The Linux for Chemistry project (LfC) is dedicated to compiling the most comprehensive collection of Chemistry software, and making it available for the Linux operating system. LfC provides point-and-click installation, a complete on-line library of searchable documentation, and much more.

The packages on LfC represent the state-of-the-art in Chemistry data processing, and are identical to the versions used on high end scientific workstations.

The combination of ever decreasing hardware prices, and the superb Linux operating system, now makes it possible to use these same packages on a "standard" personal computer. The current LfC distribution contains Linux versions of the following Chemistry data reduction and analysis packages :

2dhf 2 Dimensional Finite Difference Hartree-Fock Program (WWW)
ASICSAnalysis of single crystal spectra (WWW)
ARTworkA ma"center"> ARTworkA materials simulation tool. (WWW)
atomcMonte Carlo simulation of atomic fluids in the (T,V,N), (T,P,N), or (T,V,mu) ensemble NB. This program is distributed as an encrypted archive, please email Mihaly Mezei to request the decryption key. (WWW)
BabelA Molecular Structure Information Interchange Hub (WWW)
big_macConfigurational Bias Monte Carlo code (WWW)
BallroomA Molecular animation viewer (WWW)
BoostC++ programming libraries (WWW)
BSxbs ball-and-sticks plotting program (WWW)
ccsl"ccsl.gif" ALIGN="center"> ccslThe Cambridge Crystallography Subroutine Library (WWW)
CDACharge Decomposition Analysis (WWW)
chemeqChemical equilibrium calculator
ChemtoolMolecular drawing program (WWW)
ChoochCalculation of Anomalous scattering factors from X-ray fluorescence data (WWW)
Cn3DNCBI structure viewer (WWW)
CRKChemical resource kit (WWW)
dacapoAb initio molecular dynamics code, based on ultra-soft pseudopotentials. (WWW)
DinoVisualizing Structural Biology (WWW)
DRAWxtlProgram to read crystallographic information such as unit cell, space group, atom positions, and thermal ellipsoid parameters to generate POLYHEDRON, SPHERE, ELLIPSOID and BOND geometry POV and VRML scenes. (WWW)
discusSimulate crystal structures and calculate the corresponding Fourier transform (WWW)
dndMolecular Visualization (WWW)
ego_viiiA program to compute molecular dynamics trajectories. (WWW)
elfA script for preparing ELF (Electron Localisation Function) files, using Gaussian's Wavefunction output. (WWW)
equivA program for the analysis and management of data collections from X-ray single crystal diffractometry (WWW)
fhi96mdmolecular dynamics simulations and total-energy calculations (WWW)
FhklComputation of crystal characteristics (WWW)
FormulaeFormulae of common chemicals (WWW)
fungimolFungimol is an extensible system for designing atomic-scale objects (WWW)
gammaA General Approach To Magnetic Resonance Mathematical Analysis (WWW)
g3datag3data is used for extracting data from graphs. In publications graphs often are included, but the actual data is missien are included, but the actual data is missing. g3data makes the extracting process much easier. (WWW)
geomview3d viewer (WWW)
gdpcgdpc is a program for visualising molecular dynamic simulations (WWW)
gibbsGibbs-ensemble simulation with cavity-biased insertion NB. This program is distributed as an encrypted archive, please email Mihaly Mezei to request the decryption key. (WWW)
GraphEntGraphical Maximum Entropy modeller (WWW)
gperiodicPeriodic table browser (WWW)
grammGRAMM is a program for protein docking (WWW)
intocham,conversion from InsightII to Charm, Amber, or Moil, NB. This program is distributed as an encrypted archive please email Mihaly Mezei to request the decryption key. (WWW)
IMCIterative Mobile ClusteringMultiple-Site Ligand Binding to Flexible Macromolecules (WWW)
JChemPaintJChemPaint is a Java 2 program for drawing 2D chemical structures (WWW)
jana2000Chrystallographic computing system (WWW)
kuplotGeneral purpose plotter (WWW)
laueXLaue diagrams (WWW)
lennardLneeard-Jones simulation
LOOPPLearning, Observing and Outputting Protein Patterns (WWW)
maxwellmultipole expansion for condensed phases NB. This program is distributed as an encrypted archive please email Mihaly Mezei to request the decryption key. (WWW)
mmcMonte Carlo program NB. This program is distributed as an encrypted archive please email Mihaly Mezei to request the decryption key. (WWW)
MEAD Macroscopic Electrostatics with Atomic Detail (WWW)
MOILThe MOIL modeling package simulates structure, dynamics, and function of biological molecules at the atomic level of detail. (WWW)
moldyMolecular dynamics simulations (WWW)
MOPAC7Semi-empirical molecular orbital package (WWW)
moscitoMolecular dynamics package (WWW)
MPQCMassively parallel quantum chemistry toolkit (WWW)
MMTKMolecular modelling toolkit (Python) (WWW)
modelfreeA program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data (WWW
MosViewViewer for moscito simulations (WWW)
NABNucleic Acid Builder (WWW)
nmrviewVisualization and analysis of NMR datasets. (WWW)
ORACA molecular dynamics program to simulate solvated biomolecules (WWW)
ORTEPOak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations (WWW)
PASTAPASTA Toolkit, Protein ASsignment by Threshold Accepting (WWW)
pdffitFull profile structural least square refinement of the atomic pair distribution function (WWW)
pepinskyPepinsky's Machine : an interactive, graphics-based Fourier synthesis program with applications in teaching and research (WWW)
ppovitPOV-Ray molecular raytracing (WWW)
PyMolMolucular Visualization toolkit (WWW)
QsQueen of Spades. a n-dimensional, space-group general, molecular (re)placement program (WWW)
RasMol Molecular graphics Visualization tool (WWW)
Raster3D3D Molecular graphics rendering tool (WWW)
Raster3D3D Molecular graphics rendering tool (WWW)
Scientific Python A collection of Python modules that are useful for scientific computing (WWW)
simloc detection of local similarities NB. This program is distributed as an encrypted archive please email Mihaly Mezei to request the decryption key. (WWW)
SimpsonSolid-state NMR simulation program. (WWW)
SIMREFSimultaneous Rietveld RTD>Simultaneous Rietveld Refinement with Multiple Powder Data Sets (WWW)
simulaid simulation setup utilites NB. This program is distributed as an encrypted archive please email Mihaly Mezei to request the decryption key. (WWW)
SitusA package for the docking of atomic resolution structures to low-resolution density maps (WWW)
SPDBVSwiss PDB viewer (WWW)
SSIASSIA is a program for predicting the magnitude and orientation of a sterically induced alignment tensor from a solute's three-dimensional shape (WWW)
stericA Program to Calculate the Steric Size of Molecules about a Point in terms of their Cone Angles and Solid Angles, as well as their total Volumes and Projected Areas (WWW)
vaspviewScientific visualization package for examining output files generated by the Vienna Ab-initio Simulation Package (WWW)
tessel2 A 3D "compiler" to produce crystal and molecular models, c parametric surfaces and several forms of sphere tesselations. (WWW)
vievmolViewmol is an open source graphical front end for computational chemistry programs (WWW)
vis5d3D viewer (WWW)
XCombustElemental analysis (WWW)
WMOVIECWpg" ALIGN="center"> WMOVIECWMOVIEC is a program that creates movies of atomic motion. (WWW)
XITEX-based Image Processing Tools and Environment (WWW)
XMolCalcMolecular weight calculator (WWW)
XmakemolA program for viewing and manipulating atomic/molecular systems (WWW)
xnmrProcessing and simulation of exchange broadened NMR spectra SHAREWARE (WWW)
xtal Xtal3.7 System of Crystallographic Programs (WWW)

LfC also now includes a set of graphical and database tools, tools for enhancing the security of your Linux system, and a remote desktop package (VNC).

All the applications have been tested with the Linux system distributions from RedHat (version 7.2) and SuSE (version 7.1). (a full listing of contents of the current release is available here, please note that this is a large file download.)

The collection has been assembled with the assistance of the worldwide Chemistry software community. The system includes an integrated set of documentation in HTML format, and many packages include PostScript™ format documents. Source code is included where permitted by the package license holders.

he package license holders.