Besides all their conformational degrees of freedom, drug-like molecules and natural products often also undergo tautomeric interconversions. Compared to the huge efforts made in experimental investigation of tautomerism, open and free algorithmic solutions for prototropic tautomer generation are surprisingly rare. The few freely available software packages limit their output to a subset of the possible configurational space by sometimes unwanted prior assumptions and complete neglection of ring-chain tautomerism. MolTPC provides an adjustable and fully automatic approach for this problem.
The original publication can be found on http://onlinelibrary.wiley.com/doi/10.1002/jcc.23397/full.

Project Samples

Project Activity

See All Activity >

License

GNU General Public License version 2.0 (GPLv2)

Follow MolTPC

MolTPC Web Site

Other Useful Business Software
Get Avast Free Antivirus | Your top-rated shield against malware and online scams Icon
Get Avast Free Antivirus | Your top-rated shield against malware and online scams

Boost your PC's defense against cyberthreats and web-based scams.

Our antivirus software scans for security and performance issues and helps you to fix them instantly. It also protects you in real time by analyzing unknown files before they reach your desktop PC or laptop — all for free.
Free Download
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of MolTPC!

Additional Project Details

Operating Systems

Linux, BSD, Mac

Intended Audience

Healthcare Industry, Science/Research

User Interface

Console/Terminal, Command-line

Programming Language

Java

Related Categories

Java Chemistry Software, Java Molecular Mechanics Software

Registered

2013-04-14