8cc0cedbc9
This software seems to be abandoned by its upstream, and rescued by the Debian team. I've set its source to Debian's GitLab server, where they source it from now. Port changes: * 3.6.1 is Qt5-based: remove the DEPRECATED lines * USE_GCC seems to be needed due to clang error messages * MAKE_JOBS_UNSAFE isn't needed
21 lines
1.1 KiB
Plaintext
21 lines
1.1 KiB
Plaintext
The massXpert project aims at providing (bio)chemists with a software
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package allowing the following:
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* User-specific atom definitions and polymer chemistry definitions;
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* Powerful sequence editing with user-defined glyphs for each monomer
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and monomer chemical modification. Multi-region selections;
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* Polymer sequence chemical/enzymatic cleavage;
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* Intramolecular cross-linking, like disulfide bonds with total resolution
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of the peptides generated upon enzymatic cleavage;
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* Gas-phase fragmentation of oligomers;
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* Mass-to-charge ratio calculations with inline change of ionization agent;
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* Calculation of net electrical charge and of isoelectric point (even by
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taking into account monomer modifications if polymer is a protein);
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* Simulation of isotopic patterns for any chemical formula and z charge;
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* A number of plugins allow 1) translation of the sequence from one format
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to another (using a dictionary, like between the 1-letter code and the 3-letter
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code of proteins) 2) conversion of number format according to any localized
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number format 3) sort mass lists.
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WWW: https://salsa.debian.org/debichem-team/massxpert
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