PyMOL is an OpenGL molecular graphics system.
PyMOL is a molecular graphics system with an embedded Python interpreter designed for real-time visualization and rapid generation of high-quality molecular graphics images and animations.
It is fully extensible and available free to everyone via the “Python” license. Although a newcomer to the field, PyMOL can already be used to generate stunning images and animations with unprecedented ease. It can also perform many other valuable tasks (such as editing PDB files) to assist you in your research.
Key Features
- Real-Time 3D visualization.
- Publication quality renderings.
- Extensive animation capabilities.
- Support for X-ray crystallography.
- Modular architecture.
- Volume visualization for unique display of volumetric data and simultaneous visualization of multiple iso-surfaces.
- Electron density map generation from reflection data.
- Stereochemical labeling.
- Atom Typing; MacroModel and SYBYL/MOL2 support.
- OpenGL Shaders (GLSL) for improved on-screen rendering (cartoons, sticks, surfaces, volumes).
- Dynamic measurements (distances, bond angles and dihedral angles).
- Flexible API for custom applications.
- Support for bg_gradient when ray tracing.
- Many non-standard nucleic acids (PSU, 5MU, 7MG, MIA, H2U, 4SU, MA6, UR3, 5MC, 40C, 2MG, TM2, 2MG) render correctly as cartoons.
- Surface color smoothing.
- Frame buffer-based antialiasing for real-time rendering.
- Optimized anaglyph colors and intensities for an improved 3D viewing experience.
- Real-time and ray-traced ambient occlusion.
- Support for reading compressed Maestro (.maegz)** and PyMOL session files (.pze, pzw, .pse.gz, .psw.gz).
- Written in C and Python.
Website: pymol.org
Support: Wiki
Developer: DeLano Scientific LLC
License: Open-source, user-sponsored

PyMOL is written in Python. Learn Python with our recommended free books and free tutorials.
Related Software
| Chemistry Tools | |
|---|---|
| GROMACS | Versatile package to perform molecular dynamics |
| tomviz | Process, visualize, and analyze 3D tomographic data |
| Psi4 | Ab initio quantum chemistry software |
| NWChem | Ab initio computational chemistry software package |
| PyMOL | OpenGL molecular graphics system written in Python |
| LAMMPS | Classical molecular dynamics simulator |
| CP2K | Atomistic simulations of solid state, liquid, molecular and biological systems |
| RDKit | Cheminformatics and machine-learning software |
| GAMESS | General ab initio quantum chemistry package |
| Avogadro | Advanced molecular editor |
| OpenMM | High-performance toolkit for molecular simulation |
| Gabedit | Graphical user interface to computational chemistry packages |
| Open Babel | Converts and manipulates chemical data files |
| Jmol | Viewer for three-dimensional chemical structures |
| pyscf | Quantum chemistry framework |
| Kalzium | Full-featured chemistry application for KDE 5 |
| Ketcher | Web-based chemical structure editor |
| XDrawChem | 2D editor for chemical structures and reactions |
| Cantera | Chemical kinetics, thermodynamics, and transport tool suite |
| Orac | OpenMP/MPI molecular dynamics engine to simulate solvated biomolecules |
| JChemPaint | Chemical 2D structure editor |
| MPQC | Computes the properties of molecules, ab initio |
| Indigo | Universal cheminformatics toolkit for working with molecules and reactions |
| GPAW | Python package for density-functional theory calculations |
| DFTB+ | General package for performing fast atomistic calculations |
| BKChem | 2D molecule editor written in Python |
| MDynaMix | General purpose molecular dynamics |
| ChemCanvas | 2D chemical drawing tool |
| MoleQueue | Abstract, manage, and coordinate the execution of tasks |
Read our verdict in the software roundup.
Explore our comprehensive directory of recommended free and open source software. Our carefully curated collection spans every major software category.This directory is part of our ongoing series of informative articles for Linux enthusiasts. It features hundreds of detailed reviews, along with open source alternatives to proprietary solutions from major corporations such as Google, Microsoft, Apple, Adobe, IBM, Cisco, Oracle, and Autodesk. You’ll also find interesting projects to try, hardware coverage, free programming books and tutorials, and much more. Discovered a useful open source Linux program that we haven’t covered yet? Let us know by completing this form. |

