aqua

autodock

A suite of automated docking tools

autodock_vina

AutoDock Vina is a new program for drug discovery and molecular docking

avogadro

Advanced molecular editor that uses Qt4 and OpenGL

avogadro2

bodr

The Blue Obelisk Data Repository listing element and isotope properties.

burrow-owl

camshift

cara-bin

An application for the analysis of NMR spectra and Computer Aided Resonance Assignment

chemex

chemical-mime-data

A collection of data files to add support for chemical MIME types.

chemtool

A GTK program for drawing organic molecules

chimera-bin

clashlist

cluster

concoord

cpmgfit

cs-rosetta

ctffind

curvefit

dl_poly

drawxtl

dssp

The protein secondary structure standard

dssp2pdb

easychem

Chemical structure drawing program - focused on presentation.

elem

periodic table of the elements

erkale

freeon

gamess

gelemental

a periodic table viewer that provides detailed information on the chemical elements.

gmxapi

gnome-chemistry-utils

gperiodic

Periodic table application for Linux

gromacs

The ultimate molecular dynamics simulation package

GromacsWrapper

hydronmr

jligand

ksdssp

ksdssp is an open source implementation of dssp

ligplot+

mage

mars

marvin

mdanalysis

mddnmr

mdsctk

mdtraj

mics

mm-align

modelfree

modeller

module2

molden

Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac.

moldy

Program for performing molecular dynamics simulations.

molequeue

molmol

Publication-quality molecular visualization package

molscript

Display molecular 3D structures, such as proteins, in both schematic and detailed representations.

molsketch

mopac7

Autotooled, updated version of a powerful, fast semi-empirical package

MotionCor2

mpqc

The Massively Parallel Quantum Chemistry Program

msms-bin

mustang

MUltiple STructural AligNment AlGorithm.

namd

A powerful and highly parallelized molecular dynamics code

nmrglue

nmrpipe

nmrview

numbat

openbabel

interconverts file formats used in molecular modeling

openbabel-java

openbabel-perl

Perl bindings for OpenBabel

openbabel-python

Python bindings for OpenBabel (including Pybel)

pales-bin

panav

pdbcat

pdbcns

pdbmat

pesto

polygon

povscript+

Modified molscript that uses POV-Ray, does thermal ellipsoids, and more

prekin

Prepares molecular kinemages (input files for Mage & KiNG) from PDB-format coordinate files

probe

Evaluates atomic packing within or between molecules

procheck

Checks the stereochemical quality of a protein structure

propka

psi

pymol

A Python-extensible molecular graphics system.

pymol-plugins-psico

pyquante

rasmol

Free program that displays molecular structure.

raster3d

a set of tools for generating high quality raster images of proteins or other molecules

relion

rosetta-tools

sage-jmol-bin

scicraft

smmp

ssp

suitename

surf

talosn

theseus

Maximum likelihood superpositioning and analysis of macromolecular structures

threeV

tinker

TINKER is a molecular modeling package that includes force fields for handing large molecules and large systems, such as AMBER and CHARMM. A Java based visualization front end is included.

tm-align

trajng

unio

usf-tools

vmd

Visual Molecular Dynamics

votca-csg

Votca coarse-graining engine

votca-csgapps

votca-ctp

votca-xtp

wxmacmolplt

Chemical 3D graphics program with GAMESS input builder

xds-bin

X-ray Detector Software for processing single-crystal monochromatic diffraction data.

xyza2pipe

aqua

ligplot+

pesto

autodock

mage

polygon

autodock_vina

mars

povscript+

avogadro

marvin

prekin

avogadro2

mdanalysis

probe

bodr

mddnmr

procheck

burrow-owl

mdsctk

propka

camshift

mdtraj

psi

cara-bin

mics

pymol

chemex

mm-align

pymol-plugins-psico

chemical-mime-data

modelfree

pyquante

chemtool

modeller

rasmol

chimera-bin

module2

raster3d

clashlist

molden

relion

cluster

moldy

rosetta-tools

concoord

molequeue

sage-jmol-bin

cpmgfit

molmol

scicraft

cs-rosetta

molscript

smmp

ctffind

molsketch

ssp

curvefit

mopac7

suitename

dl_poly

MotionCor2

surf

drawxtl

mpqc

talosn

dssp

msms-bin

theseus

dssp2pdb

mustang

threeV

easychem

namd

tinker

elem

nmrglue

tm-align

erkale

nmrpipe

trajng

freeon

nmrview

unio

gamess

numbat

usf-tools

gelemental

openbabel

vmd

gmxapi

openbabel-java

votca-csg

gnome-chemistry-utils

openbabel-perl

votca-csgapps

gperiodic

openbabel-python

votca-ctp

gromacs

pales-bin

votca-xtp

GromacsWrapper

panav

wxmacmolplt

hydronmr

pdbcat

xds-bin

jligand

pdbcns

xyza2pipe

ksdssp

pdbmat