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About

GROMACS is a free and open source suite for high-performance molecular dynamics and output analysis. It is a versatile package for simulating the Newtonian equations of motion for systems with hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulation, and particle-based systems. GROMACS is primarily designed for biochemical molecules such as proteins, lipids, and nucleic acids, which involve many complicated bonded interactions, but its speed in calculating nonbonded interactions also makes it useful for non-biological systems such as polymers and other materials. It can model ensembles of particles in liquid, solid, or gaseous states and supports a wide range of molecular dynamics workflows, from basic energy minimization and equilibration to production simulations and detailed trajectory analysis.

About

PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger. PyQt interface replaces Tcl/Tk and MacPyMOL on all platforms. Better third-party plugin and custom scripting support. A comprehensive software package for rendering and animating 3D structures. A plug-in for embedding 3D images and animations into PowerPoint presentations. PyMOL is a commercial product, but we make most of its source code freely available under a permissive license. The open-source project is maintained by Schrödinger and ultimately funded by everyone who purchases a PyMOL license. Open access incentive executables. Liberal evaluation policy. Improved fuse command (disallows hypervalent bonds, substitutes monovalent atoms instead of attaching to them) Properties inspector now supports unsetting settings with the “delete” key. Fix workspace disappearing on specific display resolutions.

Platforms Supported

Windows Supported
Mac Supported
Linux Supported
Cloud Not Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

Platforms Supported

Windows Supported
Mac Supported
Linux Supported
Cloud Not Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

Audience

Chemists, biophysicists, materials scientists, and molecular simulation researchers who need a tool to model biomolecules and particle systems

Audience

Professionals seeking a molecular visualization system for rendering and animating 3D structures

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

API

Offers API Not Supported

API

Offers API Not Supported

Screenshots and Videos

Screenshots and Videos

Pricing

Free
Free Version Supported
Free Trial Not Supported

Pricing

No information available.
Free Version Supported
Free Trial Not Supported

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation Supported
Webinars Supported
Live Online Not Supported
In Person Not Supported

Training

Documentation Supported
Webinars Not Supported
Live Online Not Supported
In Person Not Supported

Company Information

GROMACS
United States
www.gromacs.org

Company Information

PyMOL
Germany
pymol.org/2/

Alternatives

Alternatives

NAMD

NAMD

Theoretical and Computational Biophysics Group
Ascalaph Designer

Ascalaph Designer

Agile Molecule
LIGGGHTS

LIGGGHTS

CFDEM
NAMD

NAMD

Theoretical and Computational Biophysics Group

Categories

Categories

Molecular Modeling Supported

Integrations

Laby Not Supported
Microsoft PowerPoint Not Supported
Python Not Supported

Integrations

Laby Supported
Microsoft PowerPoint Supported
Python Supported
Claim GROMACS and update features and information
Claim GROMACS and update features and information
Claim PyMOL and update features and information
Claim PyMOL and update features and information