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What is NAMD?

NAMD stands as a high-performance parallel molecular dynamics software designed explicitly for simulating large biomolecular systems. It employs Charm++ parallel objects, enabling it to scale effectively from everyday personal computers to sophisticated parallel systems, handling hundreds of cores for typical simulations and even surpassing 500,000 cores for the most complex scenarios. This software is crafted for scientists focused on executing efficient simulations of extensive molecular systems while ensuring it integrates seamlessly with widely used molecular modeling workflows. NAMD works in conjunction with the renowned molecular graphics tool VMD, facilitating both the setup of simulations and the analysis of trajectories, while ensuring compatibility with file formats from AMBER, CHARMM, and X-PLOR. Additionally, it is meticulously designed to support biomolecular simulations involving proteins, membranes, nucleic acids, solvents, ions, and various other molecular entities, thereby allowing for a detailed investigation of atomic interactions and dynamic processes over time. Researchers can thus depend on NAMD for valuable insights into the complexities of molecular dynamics, ultimately enhancing their understanding of the underlying biological mechanisms at play.

What is MolKraft?

MolKraft is an innovative online tool tailored for the design, analysis, and documentation of molecular structures in chemistry. Its intuitive 2D editor allows users to seamlessly transform chemical structures into engaging 3D models, featuring detailed measurements and visualizations of molecular surfaces. The platform boasts an extensive array of capabilities, including a robust chemical library, a periodic table, molecular property calculations, assessments of formal charges, identification of stereocenters, InChI generation, calculations for reaction quantities, equation balancing, and evaluations of atom economy. The free version offers approximations for 1H and 13C NMR shifts based on established increment rules, while those who subscribe gain access to premium features such as specialized models for additional nuclei, on-device IUPAC naming, pKa estimations, molecular orbital analyses, image-to-structure conversion, and support for complex multi-step reaction pathways. Users can easily export their molecular structures and illustrations for integration into academic reports and publications, ensuring compliance with specific journal formatting requirements. Catering to a wide range of users, including chemistry students, educators, researchers, and industry professionals, MolKraft is utilized across educational institutions, research facilities, and corporate settings. Furthermore, its operation entirely within a web browser negates the need for software installation, significantly improving accessibility for all users and allowing for effortless collaboration and sharing of molecular designs. This makes MolKraft not only a versatile educational resource but also a valuable tool for professional use in the field of chemistry.

Media

Media

Integrations Supported

Integrations Supported

Microsoft PowerPoint
Microsoft Word

API Availability

API Availability

Pricing Information

Free
Free Version

Pricing Information

$0
MolKraft offers a free plan and a 14-day trial of every feature. Academic licenses cost $49/year; Professional licenses cost $149/year or $15/month; Lab licenses cost $1,299/year for up to 10 seats; school licenses cost $99/teacher/year; and campus licenses start at $600/year. Prices in India are listed in rupees and are subject to GST. During the private beta, paid prices are suggested, and payments are scheduled to open at public launch.
Free Version
Free Trial Offered?

Supported Platforms

Windows
Mac
Linux

Supported Platforms

SaaS

Customer Service / Support

Web-Based Support

Customer Service / Support

Web-Based Support

Training Options

Documentation Hub

Training Options

Documentation Hub

Company Facts

Organization Name

Theoretical and Computational Biophysics Group

Date Founded

2006

Company Location

United States

Company Website

www.ks.uiuc.edu/Research//namd/

Company Facts

Organization Name

Mehra Holdings

Date Founded

1992

Company Location

India

Company Website

molkraft.com

Categories and Features

Molecular Modeling

Not specified

Particle Simulation

Not specified

Categories and Features

Molecular Modeling

Not specified

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