NAME¶

massXpert — Model linear polymers, simulate chemical reactions and predict mass spectrometric data

SYNOPSIS¶

massxpert [options] [filename ...]

DESCRIPTION¶

This manual page documents briefly the massxpert software shipped within the msXpertSuite software suite.

This program allows one to model linear polymer chemistries using a dedicated grammar. Once the polymer chemistry of interest is defined, the user is allowed to use it to define polymer sequence files. These files serve as the starting point for the simulation of a large set of chemical reactions onto that polymer sequence. This software is comprised of four main submodules:

•

XpertDef: module to define brand new polymer chemistries;

•

XpertCalc: module to perform any mass calculation taking advantage of defined polymer chemistries;

•

XpertEdit: module to edit polymer sequences of any specific polymer chemistry and to graphically perform a wide array of chemical reactions along with the corresponding mass spectrum simulations;

•

XpertMiner: module to compare with maximum flexibility any number of mass-to-ratio (m/z) lists.

OPTIONS¶

? | -h | --help

Show this help message.

-c | --config

Display program configuration at build time and the Qt version used to build it.

-v | --version

Print the version of the software program along the with version of the Qt libraries used to build it.

-l | --license

Print the license of this software.

filename ...

One or more names of files to be opened in the sequence editor.

Bibliographic reference to be cited¶

F. Rusconi (2009) massXpert 2: a cross-platform software environment for polymer chemistry modelling and simulation/analysis of mass spectrometric data. Bioinformatics, 25:2741-2742. doi:10.1093/bioinformatics/btp504.

See also¶

minepert (1)

Useful reading¶

The program is documented fully in the massXpert User Manual, that is packaged in msxpertsuite-doc. That manual is available in the form of a PDF-formatted file (/usr/share/doc/msxpertsuite/massxpert-doc.pdf).

AUTHOR¶

Filippo Rusconi <lopippo@debian.org>

This manual page was written by Filippo Rusconi <lopippo@debian.org> (initial writing 05 december ?). Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 3, published by the Free Software Foundation.

On a Debian system the complete text of the GNU General Public License version 3 can be found in the file /usr/share/common-licenses/GPL-3.