molecule processing toolkit download

The program fuses 2 sets of molecules. It tries different relative positions of molecules before binding them, so that there is no or minimal intersection in the resulting molecule. The atom to be fused in a molecule is labeled with an R symbol.

Project Activity

See All Activity >

License

BSD License

Follow molecule processing toolkit

molecule processing toolkit Web Site

Other Useful Business Software

Keep company data safe with Chrome Enterprise

Protect your business with AI policies and data loss prevention in the browser

Make AI work your way with Chrome Enterprise. Block unapproved sites and set custom data controls that align with your company's policies.

Download Chrome

Rate This Project

User Reviews

Be the first to post a review of molecule processing toolkit!

Additional Project Details

Operating Systems

Linux, Windows

User Interface

Command-line, Plugins

Programming Language

C++, Java, Pascal, Ruby

Related Categories

Pascal Chemistry Software, Pascal Bio-Informatics Software, C++ Chemistry Software, C++ Bio-Informatics Software, Ruby Chemistry Software, Ruby Bio-Informatics Software, Java Chemistry Software, Java Bio-Informatics Software

Registered

2008-03-03

Similar Business Software

Torx

Make better design decisions and track compound synthesis from start to finish with ease. Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze that work...

See Software
Avogadro

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free,...

See Software
InQuanto

Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the...

See Software
FindMolecule

FindMolecule is an innovative online inventory and ELN platform for chemists and biologists. It is used in labs all around the world to improve their efficiency. Great for structure searches, barcode scanning, health & safety, orders management and much more. The electronic lab notebook is the...

See Software
QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software