This is an open source implementation of molecular formula calculation by high resolution MS and MS/MS data as described in

M. Meringer, S. Reinker, J. Zhang, A. Muller: MS/MS Data Improves Automated Determination of Molecular Formulas by Mass Spectrometry. MATCH Commun. Math. Comput. Chem. 65, 259-290, 2011.

The software user manual is available here: https://www.researchgate.net/publication/307964728_MOLGEN-MSMS_Software_User_Manual

Example MS and MS/MS data files for GenForm can be downloaded here: https://sourceforge.net/p/genform/code/HEAD/tree/trunk/data/

A first program call could look like this:
GenForm ms=SinapinicAcidMs.txt msms=SinapinicAcidMsMs.txt exist out

Project Activity

See All Activity >

License

GNU Library or Lesser General Public License version 2.0 (LGPLv2)

Follow GenForm

GenForm Web Site

Other Useful Business Software
Keep company data safe with Chrome Enterprise Icon
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
Login To Rate This Project

User Reviews

Be the first to post a review of GenForm!

Additional Project Details

Operating Systems

BSD, Linux, Windows

Intended Audience

Advanced End Users, Science/Research

User Interface

Command-line, Console/Terminal

Programming Language

C++

Related Categories

C++ Molecular Science Software, C++ Chemistry Software, C++ Bio-Informatics Software

Registered

2015-06-21