List of stand-alone and web-based molecular graphics software

Stand-alone systems

Name Data License Technology Citation Comments
Amira EM MRI Optical commercial


Ascalaph Graphics MM MD free C++

Avizo EM MM MRI Optical XRC commercial Windows, Linux, Mac

Avogadro MM XRC MD free and open-source C++/Qt, can be extended with Python modules

BALLView MM Nucleic Acids XRC SMI free and open-source, GPL C++ and Python; Windows, Linux, Solaris, and MacOS X BALL project BALLView uses OpenGL and the real time ray tracer RTFact as render backends. For both renderers, BALLView offers stereoscopic visualization in several different modes.
Cn3D
free stand-alone application

CheVi SMI free stand-alone application

Coot
free


Crystal Studio MM XRC commercial Windows
Various Models: Ball & Stick, Stick, Space Filling, Ribbon etc. Plot XRD and Neutron Powder Patterns
Friend MM SA MSA free Win, Linux
Fast, can work with hundreds of structures and thousands of sequences; millions of atoms. Crosstalk between sequence and structure modules. Sequence module based on Jalview. Accurate structural alignment by TOPOFIT method. Also available as applet to interface sequence/structure databases.
Gabedit XRC MM free and open-source C


g0penMol MD MM free


ICM-Browser
free Windows,Mac,Linux, fast C++ graphics, free plugin and activeICM for Web delivery
multiple objects, symmerty, 3D wavefront, alignments, chemistry, tables, plots
Jmol
free and open-source Java applet or stand-alone application
Supports advanced capabilities such as loading multiple molecules with independent movement, surfaces and molecular orbitals, cavity visualization, crystal symmetry
MDL Chime
free for noncommercial use, proprietary C++ browser plugin for Windows only
Calculates molecular surfaces coloured by electrostatic or hydrophobic potential. Originally based on RasMol.
Molden MM XRC



MOE MM XRC commercial
Molecular Operating Environment (MOE)
Molekel MM XRC free and open-source Java3D applet or stand-alone application

NOCH
free and open-source


O
free for noncommercial use

see also [1]
PyMOL XRC SMI EM free for noncommercial use, open-source Python
According to the author, almost a quarter of all published images of 3D protein structures in the scientific literature were made using PyMOL.[citation needed]
Qmol MM free, open-source C
Provided by DNASTAR
RasMol
free and open-source C stand-alone application

Sirius
free and open-source Java3D applet or stand-alone application

SPARTAN MM QM commercial stand-alone application
visualize and edit biomolecules, extract bound ligands from PDB files for further computational analysis, full molecular mechanics and quantum chemical calculations package with streamlined graphical user interface.
SRS3D Viewer HM free and open-source Java3D applet or stand-alone application

Integrates 3D structures with sequence and feature data (domains, SNPs, etc.).
UCSF Chimera XRC SMI EM MD free for noncommercial use Python
Includes single/multiple sequence viewer, structure-based sequence alignment, automatic sequence-structure crosstalk for integrated analyses.[29]
VMD EM MD MM free for noncommercial use C++

WebMol
free Java applet and stand-alone
Includes advanced structural analysis features such as packing of secondary structural elements and surface calculations.
WHAT IF HM XRC shareware for academics stand-alone
Old-fashioned interface; very good software for the experienced bioinformatician; nearly 2000 protein-structure related options; comes with 500 page writeup.
Yasara HM NMR XRC commercial; free version for education and elementary structure work stand-alone
Very advanced graphics; Best in homology model optimisation in CASP-2008; many drug design options;

 Web-based systems

Name Data License Technology
Comments
Relibase SMI partly free (full functionality requires a license) Java applet integrated into web front-end

WebMol
free Java applet and stand-alone
Includes advanced structural analysis features such as packing of secondary structural elements and surface calculations.
SRS3D Viewer HM free and open-source Java3D applet or stand-alone application
Integrates 3D structures with sequence and feature data (domains, SNPs, etc.).

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