This is a port to .NET of the original MetFrag project, and is licensed under the LGPL.
In addition, some changes have been made to suit our purposes and remove un-needed functionality.
This port incorporates the following changes:
- Port to .NET of all MetFrag code
- Removal of a lot of code that was un-required for the core MetFrag algorithm
- Improvement of scoring algorithm to facilitate comparison of scoring across searches
- A fair bit of refactoring
- Got rid of addition/removal of protons when matching peaks
- Added some unit tests
- Hard coding some of the various parameters to reduce the amount of config checks that are done
This library is used by Progenesis QI to perform theoretical fragmentation searches.
If you wish to modify the operation of this library, you can simply modify this code and build the project.
You should then copy the files in:
MetFragNET\bin\Release
to the following location:
C:\Program Files (x86)\Nonlinear Dynamics\Progenesis QI\Plugins\MetaScopeSearch
And you should choose to overwrite the existing files.
Ensure that you make a copy of the appropriate directory for your product before copying your new files in. This will allow you to restore to the officially supported version of the MetaScope plugin should your code not work as expected.