LigPlot+

LigPlot+

EMBL-EBI
+
+

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About

LigPlot+ is a successor to our original LIGPLOT program for the automatic generation of 2D ligand-protein interaction diagrams. It is run from an intuitive java interface that allows on-screen editing of the plots via mouse click-and-drag operations. In addition to the new interface, the program includes several major enhancements over the old version. When two or more ligand-protein complexes are sufficiently similar, LigPlot+ can automatically display their interaction diagrams either superposed or side by side. Any conserved interactions are highlighted. The LigPlot+ suite also now includes an update of the original DIMPLOT program for plotting protein-protein or domain-domain interactions. Users can flexibly select the interface of interest and DIMPLOT will then generate a diagram showing the residue-residue interactions across the interface. To assist in interpretation, the residues in one of the interfaces can be optionally displayed in sequence order.

About

Promethium is a GPU-powered chemistry simulation platform designed to accelerate drug and materials development by enabling faster and more accurate quantum chemistry calculations. Built from the ground up for NVIDIA datacenter GPUs like A100, it employs novel QC Ware streaming algorithms to achieve unprecedented computational speed and high throughput-to-power consumption ratios. It supports density functional theory calculations on systems with up to 2,000 atoms, allowing simulations of large molecular systems that are not feasible with legacy CPU-powered ab initio codes. For instance, a single-point calculation of a 2,056-atom protein can be completed in 14 hours on a single GPU. Promethium offers a range of capabilities, including single-point energy calculations, geometry optimization, conformer search, torsion scan, reaction path optimization, transition state optimization, interaction energy computations, and relaxed potential energy surface scans.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Labs and researchers interested in a solution to create and visualize ligand-protein interaction diagrams

Audience

Scientists seeking a tool to conduct large-scale, accurate quantum chemistry simulations efficiently

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

$30 per hour
Free Version
Free Trial

Reviews/Ratings

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

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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
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

EMBL-EBI
United Kingdom
www.ebi.ac.uk/thornton-srv/software/LigPlus/

Company Information

Promethium
United States
www.promethium.qcware.com

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Categories

Categories

Integrations

Amazon Web Services (AWS)
NVIDIA DRIVE
Python

Integrations

Amazon Web Services (AWS)
NVIDIA DRIVE
Python
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