Bug#1076552: ITP: libxpertmass -- Mass spectrometry-oriented libraries
Package: wnpp
Severity: wishlist
Owner: Filippo Rusconi <lopippo@debian.org>
X-Debbugs-Cc: debian-devel@lists.debian.org, lopippo@debian.org
* Package name : libxpertmass
Version : 1.0.0
Upstream Contact: Filippo Rusconi <lopippo@debian.org>
* URL : BLOCKEDmsxpertsuite[.]org/BLOCKED
* License : GPL
Programming Lang: C++
Description: GUI and non-GUI libraries for mass spectrometry (development files)
.
The libXpertMass and the libXpertMassGui shared libraries are designed to enshrine the non-GUI
and the GUI functionalities needed by the following two mass spectrometry projects:
.
* msXpertSuite/massXpert2;
* msXpertSuite/mineXpert2.
.
libXpertMass contains abstractions for all the chemical entities required to fully
characterize a polymer chemistry definition, as shown below:
.
* Isotope
* IsotopicData
* Formula
* Monomer
* Oligomer
* Polymer
* Modif
* CrossLinker
* CrossLink
* Aqueous chemical reactions (cleavages, enzymatic and non-enzymatic)
* Gas-phase chemical reactions (fragmentations, with a sophisticated grammar to describe complex
fragmentation patterns)
* Isotopic cluster modelling/calculations for any chemical entity representable by an element
composition formula and a charge.
.
libXpertMassGui contains classes useful:
.
* to display and manage isotopic data,
* to configure isotopic cluster calculations,
* to configure mass peak shaping processes (GAUSSIAN and LORENTZIAN),
* to configure network communications between massXpert2 and mineXpert2.
Description : Mass spectrometry-oriented libraries
--
⢀⣴⠾⠻⢶⣦⠀ Filippo Rusconi, PhD
⣾⠁⢠⠒⠀⣿⡁ Researcher at CNRS
⢿⡄⠘⠷⠚⠋⠀ Debian Developer
⠈⠳⣄⠀⠀⠀⠀ BLOCKEDmsxpertsuite[.]orgBLOCKED
http://www.debian.org
~~~~
book: https://secure-web.cisco.com/1UXOc5OF7dQkkLfrbik_zF02sKC5moBbiSWQhbIT07wR1gpFPsme-ax3YAt213f9QN-H8KXn-ChehdH2Yt0N-QVDcMjZyAr5X1y4YaB-8s8J1BkZaYUfs6bLz1xfI3j6iOCrfNuna1_xTVJGqA-x6lFG_DH1ZpSBrJYPZ5hdxcPCvInFrvNbWfYQZeZAhMlPqBpayD7mTECYUGYUP1vmgHr5lI7e8uJ11-g-ba567jx7GbdBO9EV7X_JggplZq4h1Wi7SLbjVpBxhbQ3kn1TxlY564rZFWeAfMcYjzshyTE8GPJuZl6RbRVJJNjHhAiyH9bRQenVnSihuTQ_8YV23dV-IFwFtc8-FSKzMrarUw0iPm0Wi18vIk_2zEuBlmRAYwhYw5STKggDtKDsWEEVI_dpWH86xuhCrUZc-J_Dy7ouilGgY7cqbgMKkDEvtA35H/https%3A%2F%2Fwww.lavoisier.fr%2Flivre%2Fchimie%2Fmanuel-de-spectrometrie-de-masse-a-l-usage-des-biochimistes%2Frusconi%2Fdescriptif-9782743013417%3Fcombien%3D1
http://books.google.fr/books?id=2NmguxmEI1sC&printsec=frontcover&dq=rusconi+f+lavoisier&hl=fr&sa=X&ei=nGGOUt2SH_Ly0gX0uIHoBQ&ved=0CDUQ6AEwAA#v=onepage&q&f=false
~~~~
Institut Diversité, Écologie et Évolution du Vivant
Unité Génétique Quantitative et Évolution
Plateforme PAPPSO
Université Paris-Saclay, INRAE, UMR CNRS 8120, AgroParisTech
12, route 128, Bâtiment 680
91272 Gif-sur-Yvette
France
http://moulon.inrae.fr/ & http://pappso.inrae.fr/
Tel : +33 (0)1 69 33 23 54
Fax : +33 (0)1 69 33 23 40
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