ComMap: a software to perform large-scale structure-based mapping for cross-linking mass spectrometry.

Motivation Chemical cross-linking combined with mass spectrometry (CXMS) is now a well-established method for profiling existing protein–protein interactions (PPIs) with partially known structures. It is expected to map the results of CXMS with existing structure databases to study the protein dynamic profile in the structure analysis. However, currently available structure-based analysis software suffers from the difficulty of achieving large-scale analysis. Besides, it is infeasible for structure analysis and data mining on a large scale, since of lacking global measurement of dynamic structure mapping results. Results ComMap (protein complex structure mapping) is a software designed to perform large-scale structure-based mapping by integrating CXMS data with existing structures. It allows complete the distance calculation of PPIs with existing structures in batch within minutes and provides scores for different PPI-structure pairs of testable hypothetical structural dynamism via a global view. Supplementary information Supplementary data are available at Bioinformatics online. [ABSTRACT FROM AUTHOR]