OPXLDataStructs::XLPrecursor Struct Reference

The XLPrecursor struct represents a cross-link candidate in the process of filtering candidates by precursor masses in OpenPepXL. More...

#include <OpenMS/ANALYSIS/XLMS/OPXLDataStructs.h>

Public Attributes
float	precursor_mass
unsigned int	alpha_index
unsigned int	beta_index

Detailed Description

The XLPrecursor struct represents a cross-link candidate in the process of filtering candidates by precursor masses in OpenPepXL.

Since the precursor mass does not change depending on the exact linked residues, one XLPrecursor can represent several ProteinProteinCrossLinks in the process of filtering by precursor mass. The precursor mass is the sum of the masses of the two peptides and the cross-linker. This struct also contains the indices of the two peptides in a vector, so that the two peptides can be identified again. This precursor mass is enumerated for all peptide pairs in the protein database given as input to OpenPepXL and is one of the major contributors to the memory usage of the tool because of the squared complexity of this enumeration. Therefore this should be kept as compact as possible.

Member Data Documentation

alpha_index

unsigned int alpha_index

beta_index

unsigned int beta_index

precursor_mass

float precursor_mass

Referenced by OPXLDataStructs::XLPrecursorComparator::operator()().