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Source: msxpertsuite
Section: science
Priority: optional
Maintainer: The Debichem Group <debichem-devel@lists.alioth.debian.org>
Uploaders: Filippo Rusconi <lopippo@debian.org>
Build-Depends: debhelper-compat (= 12),
dpkg-dev (>= 1.16.1~),
graphicsmagick-imagemagick-compat,
libgomp1,
qtbase5-dev (>= 5.7.0),
libqt5svg5-dev (>= 5.7.0),
qtscript5-dev (>= 5.7.0),
cmake (>= 3.2.2-2),
daps (>= 3.0.0),
libjeuclid-core-java,
libjeuclid-fop-java,
docbook-mathml,
libjs-jquery,
libjs-highlight.js,
libjs-mathjax,
fonts-mathjax,
fonts-mathjax-extras,
texlive-fonts-extra (>= 2020.20210202),
fonts-ebgaramond-extra,
libqcustomplot-dev(>= 2.0),
libpwiz-dev(>=3.0.10827),
libboost-dev (>= 1.56.0),
libisospec++-dev (>=1.9.1),
docbook-to-man,
libtclap-dev,
doxygen,
graphviz,
qttools5-dev-tools,
qtchooser
Standards-Version: 4.5.1
Homepage: http://www.msxpertsuite.org/
Vcs-Browser: https://salsa.debian.org/debichem-team/msxpertsuite
Vcs-Git: https://salsa.debian.org/debichem-team/msxpertsuite.git
Package: msxpertsuite
Architecture: any
Depends: ${misc:Depends},
msxpertsuite-massxpert (>= ${source:Upstream-Version}),
msxpertsuite-massxpert (<< ${source:Upstream-Version}A~),
msxpertsuite-minexpert (>= ${source:Upstream-Version}),
msxpertsuite-minexpert (<< ${source:Upstream-Version}A~)
Suggests: msxpertsuite-doc
Description: mass spectrometry software suite - metapackage
msXpertSuite provides programs to model linear (bio-) polymer
chemistries, simulate mass spectral data, analyse and data-mine mass.
It is the successor of GNU polyXmass, first, and then of massXpert.
.
The massXpert and mineXpert programs allow the following:
.
massXpert:
- making brand new polymer chemistry definitions;
- using the definitions to perform easy calculations in a desktop
calculator-like manner;
- performing sophisticated polymer sequence editing and simulations;
- perform m/z list comparisons;
.
Chemical simulations encompass cleavage (either chemical or
enzymatic), gas-phase fragmentations, chemical modification of any
monomer in the polymer sequence, cross-linking of monomers in the
sequence, arbitrary mass searches, calculation of the isotopic
pattern...
.
mineXpert:
- Open mass spectrometry data files (mzML, mzXML, asc, xy, ...);
- Calculate and display the TIC chromatogram;
- For mobility data, calculate and display a mz=f(dt) color map;
- Integrate the data from the TIC chromatogram or color map
- to mass spectrum;
- to drift spectrum;
- back to TIC chromatogram (XIC chromatogram);
- reverse operations;
- to single TIC intensity value
(for mass spectral intensity comparisons);
- Model centroids peaks into mass spectra using either the
Gaussian model or the Lorentzian model;
- Export the data to text files;
- Slice a big initial file into smaller chunks for easier mining;
- Define how mining activity is recorded on disk for later use;
- Convert mzML files into a private (albeit open) mass spectrometry
format that allows better performance (based on SQLite3).
.
This package depends on both massXpert and mineXpert packages and thus will
install both of them. To install only one of the packages, install the
corresponding msxpertsuite-massxpert or msxpertsuite-minexpert package.
Package: msxpertsuite-massxpert
Architecture: any
Depends: ${shlibs:Depends},
${misc:Depends},
msxpertsuite-massxpert-data-doc (>= ${source:Upstream-Version}),
msxpertsuite-massxpert-data-doc (<< ${source:Upstream-Version}A~)
Replaces: massxpert (<< 5.7.0)
Breaks: massxpert (<< 5.7.0)
Description: mass spectrometry software suite - massXpert
msXpertSuite provides programs to model linear (bio-) polymer
chemistries, simulate mass spectral data, analyse and data-mine mass.
It is the successor of GNU polyXmass, first, and then of massXpert.
.
This package ships the massXpert program.
Package: msxpertsuite-massxpert-data-doc
Section: doc
Architecture: all
Depends: libjs-jquery,
libjs-highlight.js,
${misc:Depends}
Description: mass spectrometry software suite - massXpert - data and doc
msXpertSuite provides programs to model linear (bio-) polymer
chemistries, simulate mass spectral data, analyse and data-mine mass.
It is the successor of GNU polyXmass, first, and then of massXpert.
.
This package ships the data used by massXpert and its documentation.
Package: msxpertsuite-minexpert
Architecture: any
Depends: ${shlibs:Depends},
${misc:Depends},
msxpertsuite-minexpert-data-doc (>= ${source:Upstream-Version}),
msxpertsuite-minexpert-data-doc (<< ${source:Upstream-Version}A~)
Description: mass spectrometry software suite - mineXpert
msXpertSuite provides programs to model linear (bio-) polymer
chemistries, simulate mass spectral data, analyse and data-mine mass.
It is the successor of GNU polyXmass, first, and then of massXpert.
.
This package ships the mineXpert program.
Package: msxpertsuite-minexpert-data-doc
Section: doc
Architecture: all
Depends: libjs-jquery,
libjs-highlight.js,
${misc:Depends}
Description: mass spectrometry software suite - mineXpert - data and doc
msXpertSuite provides programs to model linear (bio-) polymer
chemistries, simulate mass spectral data, analyse and data-mine mass.
It is the successor of GNU polyXmass, first, and then of massXpert.
.
This package ships the data used by mineXpert and its documentation.
|
