Browse sci-chemistry
apbs
Software for evaluating the electrostatic properties of nanoscale biomolecular systemsaria
Software for automated NOE assignment and NMR structure calculation.autodock
A suite of automated docking toolsautodock_vina
AutoDock Vina is a new program for drug discovery and molecular dockingavogadro
Advanced molecular editor that uses Qt4 and OpenGLazara
A suite of programmes to process and view NMR databkchem
A chemical drawing programbodr
The Blue Obelisk Data Repository listing element and isotope properties.burrow-owl
Visualize multidimensional nuclear magnetic resonance (NMR) spectracara-bin
An application for the analysis of NMR spectra and Computer Aided Resonance Assignmentccpn
The Collaborative Computing Project for NMRchemical-mime-data
A collection of data files to add support for chemical MIME types.chemtool
A GTK program for drawing organic moleculescns
Crystallography and NMR Systemdssp
The protein secondary structure standardeasychem
Chemical structure drawing program - focused on presentation.eden
A crystallographic real-space electron-density refinement and optimization programelem
periodic table of the elementsgabedit
GUI for computational chemistry packagesgelemental
a periodic table viewer that provides detailed information on the chemical elements.ghemical
Chemical quantum mechanics and molecular mechanicsgperiodic
Periodic table application for Linuxgromacs
The ultimate molecular dynamics simulation packageksdssp
ksdssp is an open source implementation of dsspmolden
Display molecular density from GAMESS-UK, GAMESS-US, GAUSSIAN and Mopac/Ampac.moldy
Program for performing molecular dynamics simulations.molmol
Publication-quality molecular visualization packagemolscript
Display molecular 3D structures, such as proteins, in both schematic and detailed representations.mopac7
Autotooled, updated version of a powerful, fast semi-empirical packagempqc
The Massively Parallel Quantum Chemistry Programmustang
MUltiple STructural AligNment AlGorithm.namd
A powerful and highly parallelized molecular dynamics codeopenbabel
interconverts file formats used in molecular modelingopenbabel-perl
Perl bindings for OpenBabelopenbabel-python
Python bindings for OpenBabel (including Pybel)ortep3
Thermal ellipsoid plot program for crystal structure illustrationspdb2pqr
pdb2pqr is an automated pipeline for performing Poisson-Boltzmann electrostatics calculationspovscript+
Modified molscript that uses POV-Ray, does thermal ellipsoids, and moreprekin
Prepares molecular kinemages (input files for Mage & KiNG) from PDB-format coordinate filesprobe
Evaluates atomic packing within or between moleculesprocheck
Checks the stereochemical quality of a protein structurepymol
A Python-extensible molecular graphics system.pymol-plugins-bni-tools
Gives Pymol additional functionalities and presets to the PyMOL GUIpymol-plugins-emovie
eMovie is a plug-in tool for the molecular visualization program PyMOLpymol-plugins-promol
Fast and accurate regognition of active sitesrasmol
Free program that displays molecular structure.raster3d
a set of tools for generating high quality raster images of proteins or other moleculesshelx
Programs for crystal structure determination from single-crystal diffraction datasparky
Graphical NMR assignment and integration program for proteins, nucleic acids, and other polymerstheseus
Maximum likelihood superpositioning and analysis of macromolecular structurestinker
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.viewmol
Open-source graphical front end for computational chemistry programsvmd
Visual Molecular Dynamicsvotca-csg
Votca coarse-graining enginewxmacmolplt
Chemical 3D graphics program with GAMESS input builderxds-bin
X-ray Detector Software for processing single-crystal monochromatic diffraction data.xdsstat-bin
prints various statistics (that are not available from XDS itself)
