Package: wnpp Severity: wishlist Owner: Filippo Rusconi <lopi...@debian.org>
* Package name : isospec Version : 1.9.0 Upstream Author : Micha Startek and Mateusz Lacki * URL : https://github.com/MatteoLacki/IsoSpec * License : (BSD-2-Clause) Programming Lang: (C++, Python and R) Description : Isotopic fine structure calculator IsoSpec implements an algorithm for fast computation of isotopologues of chemical substances that can alternate between joint probability and peak height threshold. This software piece will be central in the so-called "top/middle-down proteomics" projects at it is used to model the isotopic cluster corresponding to a polypeptide elemental formula. There does not seem to be such a standalone library in Debian. I will make heavy use of that library in my msXpertSuite software, packaged as msxpertsuite in Debian. Filippo -- ⢀⣴⠾⠻⢶⣦⠀ Filippo Rusconi, PhD ⣾⠁⢠⠒⠀⣿⡁ Scientist at CNRS ⢿⡄⠘⠷⠚⠋⠀ Debian Developer ⠈⠳⣄⠀⠀⠀⠀ http://msxpertsuite.org http://www.debian.org
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