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HiCOPS

Computational framework for scalable acceleration of database peptide search on supercomputers

Tools

This section covers the executable tools that are distributed as part of HiCOPS. The provided tools aid in peptide database processing, MS/MS data conversions, and runtime support. The subsequent sections provide an overview of the listed tools.

Runtime

The following tools help generate input parameters and run HiCOPS.

hicops_config

hicops_config generates a compact params file, called uparams.txt from a user-friendly parameters/setting file. The generated uparams.txt is used with HiCOPS as arguments. A template of user-friendly parameters file can also be generated. More details here.

hicops_comet

hicops_comet serves as the main utility for running HiCOPS on XSEDE Comet using a user-friendly parameters file. A template parameters file can also be generated. More details here.

Database Preprocessing

The following tools help prepare the peptide sequence database for HiCOPS.

db_prep

db_prep prepares coarse-grained peptide sequence clusters from a peptide sequence database (in FASTA format). The generated files are used as input database to HiCOPS. More details here.

MS Data Processing

The following tools help prepare the experimental MS/MS data for HiCOPS.

raw2ms2

raw2ms2 is a wrapper for the ProteoWizard’s msconvert tool on Linux systems. This tools requires docker to be installed on the system. Alternatively, the users may directly use msconvert tool for MS/MS data conversion to MS2 format. More details here.

extractms2

extractms2 extracts a range of MS/MS spectra from an MS2 file and writes them to a new file. This tools may be used in debugging purposes or data sampling. More details here.