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

       minexpert (1)

Useful reading

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

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.

                                                                          massXpert           (1)