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Software and Tools

Molecular Weight Calculator

This program can calculate the molecular weight and percent composition of chemical formulas and amino acids, providing a graphical user interface to edit the formulas and parsing options. It recognizes user-definable abbreviations, custom elemental isotopes, and can display up to 20 compounds simultaneously. It also includes a Mole/Mass Converter, Formula Finder, Capillary Flow Modeler, Amino Acid Notation Converter, Peptide Sequence Fragmentation Modeler, and built-in calculator.

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Version v6.45 Requirements Microsoft VB6 Runtime (included with installer)
Date Updated July 6, 2007 File Size (Software Tool) 4.0 MB (ZIP)
Registration Required No    
Developers Matthew Monroe
Comments Added option to display 3+ fragmentation ions on the Peptide Sequence Fragmentation module and updated CWSpectrumDll.dll to fix a tick spacing bug

Molecular Weight Calculator - VB.NET DLL Version

The MwtWinDll.NET program contains utility functions for calculating the molecular weight and percent composition of chemical formulas and amino acids. It recognizes user-definable abbreviations and custom elemental isotopes. It also includes a Mole/Mass Converter, Formula Finder, Capillary Flow Modeller, Amino Acid Notation Converter, Isotopic Distribution Calculator, and Peptide Sequence Fragmentation Modeler. To use the MwtWinDll.NET program you need to include it in a .NET project

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Version v3.2.2944 Requirements Microsoft NET Framework 1.1
Date Updated January 23, 2008 File Size (Source Code) 322 KB (ZIP)
Registration Required No    
Developers Matthew Monroe
Comments N/A


Acknowledgment

All publications that result from the use of this software should include this statement:

Portions of this research were supported by the W.R. Wiley Environmental Molecular Science Laboratory (a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research and located at PNNL). PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RL0 1830.