MassCalculator is a Perl module that implements common mass computations in mass spectrometry.
MassCalculator Perl library is intended to support common mass spectrometry-related computations that must be routinely performed by bioinformaticians dealing with mass spectrometry data.
To accommodate as many as possible user requirements, we decided to both support a classical procedural programming model and an object oriented model. Per se MassCalculator is not designed as an object oriented code but we provide a series of elementary classes for modeling proteins, peptides, enzymes, etc. which MassCalculator is compatible with. Moreover, the latter classes are rather simple and neutral in their design such that they should fit, after further derivations eventually, a large range of code design.
We decided not to use Perl object oriented programming to stay with relatively naive and simple code and to allow everybody to decide how to include it in its own project. Nonetheless, MassCalculator is able to deal with Perl objects we provide additionally to represent protein sequences, peptides, enzymes, mass lists, and fragmentation spectra, see their respective documentations.
MassCalculator is released under the LGPL license (see source code).