Summary
Analytical Biochemistry
DebiChem Analytical BioChemistry
This metapackage will install packages which enable you to:
- load and convert mass spectrometric data files;
- edit biopolymer sequences;
- elaborate complex mass spectrometry workflows;
- perform protein database searches using tandem-ms data;
- visualize and explore mass spectrometric data;
- simulate isotopic clusters;
- implement proteomics workflows.
Description
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
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Links to other tasks
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DebiChem Analytical Biochemistry packages
Official Debian packages with high relevance
comet-ms
moteur de recherche de spectrométrie de masse en tandem (MS/MS)
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Versions of package comet-ms |
Release | Version | Architectures |
bookworm | 2019015+cleaned1-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2019015+cleaned1-4.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 2018012-1 | amd64,arm64,armhf,i386 |
stretch | 2014022-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
trixie | 2019015+cleaned1-4.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 2019015+cleaned1-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
upstream | 2021010 |
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License: DFSG free
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Comet est un moteur de recherche libre de base de données de séquences de
spectrométrie de masse en tandem (MS/MS). Il identifie les peptides en
recherchant dans les spectres MS/MS des séquences présentes dans les bases
de données de séquences de protéines.
Ce paquet fournit un exécutable réalisant les recherches dans les bases de
données MS/MS. Les formats de fichiers d'entrée pris en charge sont mzXML,
mzML et ms2. Les formats de sortie pris en charge sont .out, SQT et pepXML.
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freesasa
Solvent Accessible Surface Area of biomolecules
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Versions of package freesasa |
Release | Version | Architectures |
trixie | 2.1.2-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 2.1.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2.1.2-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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FreeSASA is a C library and C++ command line tool for calculating Solvent
Accessible Surface Area (SASA) of biomolecules. It is designed to be
simple to use with defaults, but allows customization of all
parameters of the calculation and provides a few different tools to
analyze the results. Python bindings are provided separately.
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libmstoolkit-tools
libraries for manipulating mass spectrometry data - tools
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Versions of package libmstoolkit-tools |
Release | Version | Architectures |
bookworm | 82-7 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 82-7.2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 82-6 | amd64,arm64,armhf,i386 |
bullseye | 82-7 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 82-7.2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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The MSToolkit is a light-weight C++ library for reading, writing, and
manipulating mass spectrometry data. The MSToolkit is easily linked
to virtually any C++ algorithm for simple, fast file reading and
analysis.
Supported File Formats:
- read-only mzML including internal compression (zlib and numpress)
and external compression (.mzML.gz) read-only;
- read-only mzXML including internal compression (zlib) and external
compression (.mzXML.gz)
- read/write mgf, ms1, ms2, bms1, bms2, cms1, cms2
Simple Interface:
- Open any file format from a single function call;
- Store any spectrum in a simple, comprehensive data structure;
- Sequential or random-access file reading.
This package ships a MS/MS spectrum loader tool.
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libpwiz-tools
ProteoWizard command line tools
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Versions of package libpwiz-tools |
Release | Version | Architectures |
jessie | 3.0.6585-2 | amd64,armel,armhf,i386 |
sid | 3.0.18342-4.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 3.0.18342-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 3.0.18342-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 3.0.18342-2 | amd64,arm64,armhf,i386 |
stretch | 3.0.9393-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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The libpwiz library from the ProteoWizard project provides a modular
and extensible set of open-source, cross-platform tools and
libraries. The tools perform proteomics data analyses; the libraries
enable rapid tool creation by providing a robust, pluggable
development framework that simplifies and unifies data file access,
and performs standard chemistry and LCMS dataset computations.
The primary goal of ProteoWizard is to eliminate the existing
barriers to proteomic software development so that researchers can
focus on the development of new analytic approaches, rather than
having to dedicate significant resources to mundane (if important)
tasks, like reading data files.
This package ships command line tools that include idconvert
(conversion of MS identifications) and msconvert (conversion of MS
raw data files from/to any supported format).
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lutefisk
interprétation de novo d’un spectre de CID de peptide
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Versions of package lutefisk |
Release | Version | Architectures |
bullseye | 1.0.7+dfsg-7 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.0.7+dfsg-4 | amd64,arm64,armhf,i386 |
stretch | 1.0.7+dfsg-4 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 1.0.7+dfsg-4 | amd64,armel,armhf,i386 |
bookworm | 1.0.7+dfsg-7 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 1.0.7+dfsg-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.0.7+dfsg-7 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package lutefisk: |
field | biology, chemistry |
role | program |
science | calculation |
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License: DFSG free
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Lutefisk réalise une interprétation de novo d’un spectre de CID
(collision-induced decay – décomposition activée par une collision),
donnant à l’utilisateur un fichier contenant toutes les séquences possibles
correspondant aux données du CID.
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massxpert
paquet de transition pour massxpert -> massxpert2
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Versions of package massxpert |
Release | Version | Architectures |
sid | 8.5.0-1 | all |
bullseye | 6.0.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 7.0.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 3.6.1-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
trixie | 8.5.0-1 | all |
jessie | 3.4.1-1 | amd64,armel,armhf,i386 |
Debtags of package massxpert: |
biology | nuceleic-acids, peptidic |
field | biology, chemistry |
interface | x11 |
role | program |
uitoolkit | qt |
use | analysing, simulating |
works-with | biological-sequence |
works-with-format | xml |
x11 | application |
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License: DFSG free
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Il s’agit d’un paquet de transition pouvant être supprimé sans danger.
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minexpert2
visualisation et fouille de données de spectrométrie de masse MS^n – exécutable
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Versions of package minexpert2 |
Release | Version | Architectures |
bullseye | 7.4.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 8.6.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 9.6.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 9.6.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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MineXpert2 permet de réaliser les tâches suivantes :
– ouvrir les fichiers de données de spectrométrie de masse (mzML, mzXML,
asc, xy…) ;
– afficher dans une table l’ensemble complet de données pour un
filtrage aisé ;
– calculer et afficher le chromatogramme TIC ;
– calculer et afficher le graphique coloré mz=f(rt) ;
– pour les données de mobilité, calculer et afficher la carte de
couleurs mz=f(dt) ;
– intégrer les données de spectrométrie de masse de n’importe quelle
représentation de données (spectre de masse ou « drift »,
chromatogramme TIC ou XIC, carte de couleurs 2D) dans n’importe
quelle sorte de représentation ;
– pour n’importe quelle caractéristique de masse (pic de masse, pic TIC
ou XIC, carte de couleurs), intégrer dans une seule valeur
d’intensité XIC ;
– calcul puissant de groupe isotopique à partir d’une formule chimique,
avec facultativement des ratios d’abondance définis par l’utilisateur ;
– ajustement gaussien sur n’importe quel groupe isotopique pour estimer
la masse moyenne d’une installation donnée ;
– déconvolution avec la souris de données m/z (charge basée sur
l’enveloppe ou sur le groupe isotopique) ;
– exportation des données dans des fichiers texte ;
– exportation de la représentation graphique de données de spectrométrie
de masse dans des fichiers graphiques (jpg, png, pdf).
Ce paquet fournit le programme mineXpert2.
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mmass
outil de spectrométrie de masse pour les protéomes
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Versions of package mmass |
Release | Version | Architectures |
stretch | 5.5.0-5 | all |
buster | 5.5.0-5 | all |
jessie | 5.5.0-4 | all |
Debtags of package mmass: |
field | biology, chemistry |
interface | x11 |
role | program |
science | plotting, visualisation |
scope | application |
uitoolkit | gtk, wxwidgets |
use | analysing |
works-with | biological-sequence, db |
works-with-format | xml |
x11 | application |
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License: DFSG free
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mMass est un analyseur et visualisateur de spectrométrie de masse, libre,
avec lequel peuvent être réalisées les tâches suivantes relatives aux
protéomes :
— lecture des données de spectrométrie aux formats texte brut, mzXML
et mzData ;
— définition d’une liste de pics ;
— visualisation de spectrométrie puissante (zoom, curseur…) ;
— recalibration des données ;
— simulation uniquement de protéines ;
— recherche en ligne avec Mascot.
Ce logiciel peut être élargi facilement avec des modules supplémentaires
en Python. Ce paquet fournit les parties indépendantes de l’architecture
du logiciel.
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openms
package for LC/MS data management and analysis
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Versions of package openms |
Release | Version | Architectures |
buster | 2.4.0-real-1 | all |
bullseye | 2.6.0+cleaned1-3 | all |
bookworm | 2.6.0+cleaned1-3 | all |
trixie | 2.6.0+cleaned1-4 | all |
sid | 2.6.0+cleaned1-4 | all |
jessie | 1.11.1-5 | all |
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License: DFSG free
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OpenMS is a package for LC/MS data management and analysis. OpenMS
offers an infrastructure for the development of mass
spectrometry-related software and powerful 2D and 3D visualization
solutions.
TOPP (the OpenMS proteomic pipeline) is a pipeline for the analysis
of HPLC/MS data. It consists of a set of numerous small applications
that can be chained together to create analysis pipelines tailored
for a specific problem.
This package is a metapackage that depends on both the libopenms
library package (libOpenMS and libOpenMS_GUI) and the OpenMS
Proteomic Pipeline (topp) package.
Please cite:
Marc Sturm, Andreas Bertsch, Clemens Gröpl, Andreas Hildebrandt, Rene Hussong, Eva Lange, Nico Pfeifer, Ole Schulz-Trieglaff, Alexandra Zerck, Knut Reinert and Oliver Kohlbacher:
OpenMS – an Open-Source Software Framework for Mass Spectrometry.
(PubMed,eprint)
BMC Bioinformatics
9(163)
(2008)
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python3-pymzml
mzML mass spectrometric data parsing (Python 3.x)
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Versions of package python3-pymzml |
Release | Version | Architectures |
trixie | 2.5.10+repack1-1 | all |
sid | 2.5.10+repack1-1 | all |
bullseye | 2.4.7-3 | all |
stretch | 0.7.6-dfsg-4 | all |
bookworm | 2.5.2+repack1-1 | all |
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License: DFSG free
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python-pymzml (pymzML) is an extension to Python that offers:
- easy access to mass spectrometry (MS) data that allows
the rapid development of tools;
- a very fast parser for mzML data, the standard in
mass spectrometry data format;
- a set of functions to compare or handle spectra.
This package contains python-pymzml for Python 3.
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r-cran-maldiquant
GNU R package for quantitative analysis of mass spectrometry data
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Versions of package r-cran-maldiquant |
Release | Version | Architectures |
sid | 1.22.3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.22.3-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.22-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.19.3-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.18-1 | amd64,arm64,armhf,i386 |
stretch | 1.16.1-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 1.11-1 | amd64,armel,armhf,i386 |
Debtags of package r-cran-maldiquant: |
biology | peptidic |
devel | lang:r, library |
field | biology, chemistry, statistics |
role | devel-lib |
science | plotting |
use | analysing |
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License: DFSG free
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MALDIquant provides a complete analysis pipeline for MALDI-TOF and other
mass spectrometry data. Distinctive features include baseline subtraction
using the SNIP algorithm, peak alignment using warping functions,
handling of replicated measurements as well as allowing spectra with
different resolutions.
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r-cran-maldiquantforeign
GNU R package providing import/export routines for MALDIquant
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Versions of package r-cran-maldiquantforeign |
Release | Version | Architectures |
stretch | 0.10.1-1 | all |
buster | 0.12-1 | all |
bullseye | 0.12-2 | all |
bookworm | 0.13-1 | all |
trixie | 0.14.1-1 | all |
sid | 0.14.1-1 | all |
jessie | 0.9-2 | amd64,armel,armhf,i386 |
Debtags of package r-cran-maldiquantforeign: |
devel | lang:r |
field | biology, chemistry |
use | analysing |
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License: DFSG free
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The MALDIquantForeign package reads (tab, csv, Bruker fid, Ciphergen XML,
mzXML, mzML, imzML, Analyze 7.5) and writes (tab, csv, msd, mzML)
different file formats of mass spectrometry data into/from MALDIquant objects.
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r-cran-mixtools
GNU R tools for analyzing finite mixture models
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Versions of package r-cran-mixtools |
Release | Version | Architectures |
sid | 2.0.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.0.2-1 | amd64,armel,armhf,i386 |
stretch | 1.0.4-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.1.0-2 | amd64,arm64,armhf,i386 |
bullseye | 1.2.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 2.0.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.0.0-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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The GNU R mixtools package is a collection of R functions for analyzing
finite mixture models. This package is based upon work supported by the
National Science Foundation under Grant No. SES-0518772.
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r-cran-readbrukerflexdata
GNU R package to read Bruker Daltonics *flex format files
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Versions of package r-cran-readbrukerflexdata |
Release | Version | Architectures |
sid | 1.9.3-1 | all |
jessie | 1.8-1 | amd64,armel,armhf,i386 |
stretch | 1.8.3-1 | all |
buster | 1.8.5-2 | all |
bullseye | 1.8.5-3 | all |
bookworm | 1.9.0-1 | all |
trixie | 1.9.3-1 | all |
Debtags of package r-cran-readbrukerflexdata: |
devel | lang:r, library |
field | biology, chemistry, statistics |
role | devel-lib |
use | analysing |
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License: DFSG free
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The readBrukerFlexData package reads data files acquired by MALDI-TOF MS on
Bruker Daltonics machines of the *flex series.
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r-cran-readmzxmldata
GNU R package to read mass spectrometry data in mzXML format
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Versions of package r-cran-readmzxmldata |
Release | Version | Architectures |
jessie | 2.8-1 | amd64,armel,armhf,i386 |
stretch | 2.8.1-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 2.8.1-3 | all |
bullseye | 2.8.1-4 | all |
bookworm | 2.8.2-1 | all |
trixie | 2.8.3-1 | all |
sid | 2.8.3-1 | all |
Debtags of package r-cran-readmzxmldata: |
devel | lang:r |
field | biology, chemistry |
use | analysing |
works-with-format | xml |
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License: DFSG free
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The readMzXmlData package contains functions for reading
mass spectrometry data in mzXML format.
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r-other-amsmercury
efficient calculation of accurate masses and abundances of isotopic peaks
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Versions of package r-other-amsmercury |
Release | Version | Architectures |
sid | 1.3.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.3.0-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.3.0-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.3.0-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.3.0-3 | amd64,arm64,armhf,i386 |
stretch | 1.3.0-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 1.3.0-1 | amd64,armel,armhf,i386 |
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License: DFSG free
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This GNU R package provides efficient calculation of accurate masses and
abundances of isotopic peaks. It is a precondition for R NITPICK which
does peak identification for mass spectrometry data.
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r-other-curvefdp
estimation of confidence levels for peptide identifications
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Versions of package r-other-curvefdp |
Release | Version | Architectures |
bookworm | 2.0-6 | all |
jessie | 2.0-1 | all |
stretch | 2.0-2 | all |
buster | 2.0-5 | all |
bullseye | 2.0-6 | all |
trixie | 2.0-6 | all |
sid | 2.0-6 | all |
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License: DFSG free
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This is a GNU R package for the Analytical Chemistry publication
entitled 'Estimating the Confidence of Peptide Identifications without
Decoy Databases'. The function curveFDR(scores) fits a gaussian mixture
model to a score distribution of peptide identifications and thereby
allows the estimation of confidence levels based on the false discvory
proportion.
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r-other-iwrlars
least angle regression, lasso, positive lasso and forward stagewise
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Versions of package r-other-iwrlars |
Release | Version | Architectures |
stretch | 0.9-5-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 0.9-5-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 0.9-5-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 0.9-5-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 0.9-5-4 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 0.9-5-1 | amd64,armel,armhf,i386 |
buster | 0.9-5-3 | amd64,arm64,armhf,i386 |
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License: DFSG free
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This GNU R package provides efficient procedures for fitting an entire
lasso sequence with the cost of a single least squares fit. Least angle
regression and infinitessimal forward stagewise regression are related
to the lasso described in http://www-stat.stanford.edu/~hastie/Papers/#LARS.
This is a modified version of the original lars package by Hastie and Efron,
providing a LARS modification for non-negative lasso.
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r-other-nitpick
peak identification for mass spectrometry data
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Versions of package r-other-nitpick |
Release | Version | Architectures |
jessie | 2.0-1 | all |
bullseye | 2.0-7 | all |
bookworm | 2.0-7 | all |
trixie | 2.0-7 | all |
sid | 2.0-7 | all |
buster | 2.0-5 | all |
stretch | 2.0-2 | all |
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License: DFSG free
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This R package allows reliable extraction of features from mass spectra
and helps in the automated analysis of proteomic mass spectrometry (MS)
experiments.
This is the NITPICK implementation for peak picking in MS spectra.
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tandem-mass
logiciel de spectrométrie de masse pour l’identification de protéines
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Versions of package tandem-mass |
Release | Version | Architectures |
trixie | 201702011-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 201702011-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 201702011-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 201702011-1 | amd64,arm64,armhf,i386 |
stretch | 20151215-4 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
sid | 201702011-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 2013.09.01-2 | amd64,armel,armhf,i386 |
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License: DFSG free
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X! Tandem peut faire la correspondance de spectrométrie de masse en
tandem avec des séquences de peptide, dans un processus qui est couramment
utilisé pour réaliser l’identification de protéines.
Ce logiciel a une interface de programmation applicative (IPA) très simple
et non sophistiquée : elle prend un fichier XML d’instructions sur sa
ligne de commande et produit le résultat sous forme de fichier XML ayant
été indiqué dans le fichier XML d’entrée. Le format de la sortie est
décrit dans http://www.thegpm.org/docs/X_series_output_form.pdf.
Au contraire de quelques moteurs de recherche de générations précédentes,
tous les moteurs des séries X! calculent la fiabilité statistique (valeurs
espérées) pour toutes les affectations spectre-vers-séquence
particulières. Ils réassemblent toutes les affectations de peptide dans un
ensemble de données sur les séquences de protéine connues et affecte la
fiabilité statistique de non aléatoirité de cet assemblage et alignement.
La formule pour cela est disponible sur
https://www.thegpm.org/docs/peptide_protein_expect.pdf. Par conséquent des
logiciels d’assemblage et d’analyse statistique distincts, par exemple,
PeptideProphet et ProteinProphet, n’ont pas besoin d’être utilisés.
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toppic
Top-down proteoform identification and characterization (programs)
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Versions of package toppic |
Release | Version | Architectures |
bookworm | 1.5.3+dfsg1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.5.3+dfsg1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.5.3+dfsg1-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 1.3.0+dfsg1-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
upstream | 1.7.8 |
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License: DFSG free
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The TopPIC Suite consists of four software tools for the interpretation
of top-down mass spectrometry data: TopFD, TopPIC, TopMG, and TopDiff.
-TopFD (Top-down mass spectral Feature Detection) is a software tool
for top-down spectral deconvolution and a successor to MS-Deconv. It
groups top-down spectral peaks into isotopomer envelopes and converts
isotopomer envelopes to monoisotopic neutral masses. In addition, it
extracts proteoform features from LC-MS or CE-MS data.
-TopPIC (Top-down mass spectrometry based Proteoform Identification
and Characterization) identifies and characterizes proteoforms at the
proteome level by searching top-down tandem mass spectra against a
protein sequence database. TopPIC is a successor to MS-Align+. It
efficiently identifies proteoforms with unexpected alterations, such
as mutations and post-translational modifications (PTMs), accurately
estimates the statistical significance of identifications, and
characterizes reported proteoforms with unknown mass shifts. It uses
several techniques, such as indexes, spectral alignment, generation
function methods, and the modification identification score (MIScore),
to increase the speed, sensitivity, and accuracy.
-TopMG (Top-down mass spectrometry based proteoform identification
using Mass Graphs) is a software tool for identifying ultra-modified
proteoforms by searching top-down tandem mass spectra against a
protein sequence database. It is capable of identifying proteoforms
with multiple variable PTMs and unexpected alterations, such as
histone proteoforms and phosphorylated ones. It uses mass graphs,
which efficiently represent candidate proteoforms with multiple
variable PTMs, to increase the speed and sensitivity in proteoform
identification. In addition, approximate spectrum-based filtering
methods are employed for protein sequence filtering, and a Markov
chain Monte Carlo method (TopMCMC) is used for estimating the
statistical significance of identifications.
-TopDiff (Top-down mass spectrometry-based identification of
Differentially expressed proteoforms) compares the abundances of
proteoforms and finds differentially expressed proteoforms by using
identifications of top-down mass spectrometry data of several protein
samples.
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xtpcpp
C++ version of X!TandemPipeline
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Versions of package xtpcpp |
Release | Version | Architectures |
bullseye | 0.4.18-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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The program allows one to perform the following tasks:
-Reads X!Tandem xml results files
-Reads MASCOT dat results files
-Reads TPP pepXML results files
-Reads PSI mzIdentML results files
-Run X!Tandem analyzes through a graphical user interface
-Implements various filters based on statistical values
-Powerful original grouping algorithm to filter redundancy
-Phosphopeptide mode to handle phosphoproteomics datasets
-Edit, search and sort the data graphically
-XIC chromatogram browser (eXtracted Ion Current)
-Comparisons of theoretical isotope patterns to measured MS1 XIC areas
-Export data directly to Microsoft Office 2010 and LibreOffice (ods export)
-Handle huge datasets very quickly
-Perform peptide quantification through MassChroQml export
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Official Debian packages with lower relevance
libisospec++-dev
Isotopic fine structure calculator (C++ development files)
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Versions of package libisospec++-dev |
Release | Version | Architectures |
sid | 2.2.1-4.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 2.2.1-4.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 2.2.1-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.1.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.9.1-5 | amd64,arm64,armhf,i386 |
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License: DFSG free
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IsoSpec implements an algorithm for fast computation of isotopologues of
chemical substances that can alternate between joint probability and peak
height threshold.
This package ships the development files.
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libpwiz-dev
library to perform proteomics data analyses (devel files)
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Versions of package libpwiz-dev |
Release | Version | Architectures |
bullseye | 3.0.18342-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.0.18342-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.0.18342-4.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 3.0.6585-2 | amd64,armel,armhf,i386 |
stretch | 3.0.9393-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 3.0.18342-2 | amd64,arm64,armhf,i386 |
Debtags of package libpwiz-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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The libpwiz library from the ProteoWizard project provides a modular
and extensible set of open-source, cross-platform tools and
libraries. The tools perform proteomics data analyses; the libraries
enable rapid tool creation by providing a robust, pluggable
development framework that simplifies and unifies data file access,
and performs standard chemistry and LCMS dataset computations.
The primary goal of ProteoWizard is to eliminate the existing
barriers to proteomic software development so that researchers can
focus on the development of new analytic approaches, rather than
having to dedicate significant resources to mundane (if important)
tasks, like reading data files.
This package ships the library development files.
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libpwizlite-dev
Library to load mzML/mzXML files (dev files)
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Versions of package libpwizlite-dev |
Release | Version | Architectures |
bullseye | 3.0.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 3.0.4-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 3.0.8-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 3.0.8-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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This library is a dumbed-down version of the Proteowizard library.
This library only contains the required features to
load standard mzML/mzXML mass spectrometry data files.
See http://proteowizard.sourceforge.net/ for the original project.
This package ships the development files.
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Packaging has started and developers might try the packaging code in VCS
biceps
error-tolerant peptide identification
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Versions of package biceps |
Release | Version | Architectures |
VCS | 0.0.201401-1 | all |
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License: BSDlike
Debian package not available
Version: 0.0.201401-1
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BICEPS is tool for the error-tolerant identification of peptides based
on a statistical regularization scheme. It balances possible
improvements in peptide-spectrum-matches by allowing substitutions
against the increased risk of false positives. BICEPS can identify
peptides containing two or more substitutions as occuring e.g. in
cross-species searches.
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