MASSXPERT2(1)

💖 NAME 💖

massxpert2 — model linear polymers, simulate chemical reactions and predict mass spectrometric data. Yes bestie, all three. She does it all. 👑

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🌸 SYNOPSIS 🌸

massxpert2 [options] [filename ...]

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✨ DESCRIPTION ✨

Okay so first things first: this lil manual page is just the quick-and-dirty rundown of the massxpert2 software that ships inside the msXpertSuite software suite. The real tea is in the full docs, but we'll get there. 🫶

So what does this program do? It lets you model linear polymer chemistries using a dedicated grammar. Like, you write the chemistry down in a grammar and it just… gets it. Once you've defined the polymer chemistry you care about, you get to use it to define polymer sequence files. And those sequence files are the starting point for simulating a huge set of chemical reactions onto that polymer sequence. It's giving lab, but make it software. 🧪✨

The software is made of four main submodules, and honestly? Each one ate:

• XpertDef: the module to define brand new polymer chemistries;
• XpertCalc: the module to perform any mass calculation taking advantage of defined polymer chemistries;
• XpertEdit: the 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: the module to compare with maximum flexibility any number of mass-to-ratio (m/z) lists.

Four icons. One suite. Periodt. 💅

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🎀 OPTIONS 🎀

• ?, -h, --help — shows you this help message. Iconic of her, honestly.
• -c, --config — displays the program configuration as it was at build time, plus the Qt version that was used to build it.
• -v, --version — prints the version of the software program along with the version of the Qt libraries used to build it.
• -l, --license — prints the license of this software. Read it, bestie, it's good for you.
• filename ... — one or more names of files to be opened in the sequence editor.

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📚 Bibliographic reference to be cited 📚

If you're out here citing her (and you should, she's a whole academic icon), it's this one, exactly:

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.

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👀 See also 👀

• minexpert (1)

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🌈 Useful reading 🌈

The program is documented fully in the massXpert2 User Manual, and that one is packaged in massxpert2-doc. It comes in the form of a PDF-formatted file and of HTML files in (/usr/share/doc/massxpert2). Go read it, no cap. 📖

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💜 AUTHOR 💜

Filippo Rusconi <lopippo@debian.org> — an absolute legend.

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. 🫡

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okay that's the whole thing!! this was the massxpert2 (1) page from the General Commands Manual, and the footer was giving very "05 december" energy — mwah, love that for her 💋🦋 stay hydrated, go model a polymer, bye!! 🌸💖✨