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Description
Ascalaph Designer is a versatile software designed for conducting molecular dynamic simulations. It integrates various implementations of molecular dynamics alongside classical and quantum mechanics methodologies from widely-used programs within a unified graphical interface. The software includes molecular geometry optimization utilizing conjugate gradient techniques. Molecular models are displayed in distinct windows, each equipped with dual camera views that enable simultaneous visualization from multiple angles and in various graphic representations. Users can easily open additional subwindows by adjusting the splitter located in the corner of each graphical display. By clicking an atom or bond with the left mouse button, users can slightly alter its color, and relevant information about the selected object is presented in the status bar. The wire-frame visualization style proves especially effective for large molecules, such as proteins, ensuring rapid rendering. Additionally, the CPK wire frame style effectively merges characteristics from several other visualization options, enhancing user experience. This program not only facilitates complex simulations but also significantly improves the analysis of molecular structures through its innovative display features.
Description
NAMD is a high-performance parallel molecular dynamics software specifically developed for the simulation of extensive biomolecular systems. Utilizing Charm++ parallel objects, it effectively scales from personal computing devices to advanced parallel systems, accommodating hundreds of cores for standard simulations and exceeding 500,000 cores for the most demanding cases. This software is tailored for researchers aiming to perform efficient simulations of large molecular systems while ensuring integration with commonly utilized molecular modeling workflows. It collaborates with the well-known molecular graphics tool VMD for both simulation setup and trajectory analysis, maintaining compatibility with file formats from AMBER, CHARMM, and X-PLOR. Furthermore, it is engineered to facilitate biomolecular simulations that encompass proteins, membranes, nucleic acids, solvents, ions, and other molecular systems, allowing for an in-depth exploration of atomic interactions and time-dependent movements. Researchers can therefore rely on NAMD to provide comprehensive insights into complex molecular dynamics.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
No details available.
Pricing Details
Free
Free Trial
Free Version
Pricing Details
Free
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Agile Molecule
Country
Sweden
Website
www.biomolecular-modeling.com/Ascalaph/Ascalaph_Designer.html
Vendor Details
Company Name
Theoretical and Computational Biophysics Group
Founded
2006
Country
United States
Website
www.ks.uiuc.edu/Research//namd/