freebsd-ports/science/massxpert/distinfo
Wen Heping cc8da973ab The massXpert project aims at providing (bio)chemists with a software
package allowing the following:

* User-specific atom definitions and polymer chemistry definitions;
* Powerful sequence editing with user-defined glyphs for each monomer
and monomer chemical modification. Multi-region selections;
* Polymer sequence chemical/enzymatic cleavage;
* Intramolecular cross-linking, like disulfide bonds with total resolution
of the peptides generated upon enzymatic cleavage;
* Gas-phase fragmentation of oligomers;
* Mass-to-charge ratio calculations with inline change of ionization agent;
* Calculation of net electrical charge and of isoelectric point (even by
taking into account monomer modifications if polymer is a protein);
* Simulation of isotopic patterns for any chemical formula and z charge;
* A number of plugins allow 1) translation of the sequence from one format
to another (using a dictionary, like between the 1-letter code and the 3-letter
code of proteins) 2) conversion of number format according to any localized
number format 3) sort mass lists.

PR:		ports/146564
Submitted by:	Gvozdikov Veniamin <g.veniamin@googlemail.com>
2010-05-20 09:43:14 +00:00

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MD5 (massxpert-2.3.6.tar.gz) = e51cf36f01e78cf07a71e33a8e0f8ad7
SHA256 (massxpert-2.3.6.tar.gz) = 9c28de0eb45c027551b52b865bae4a9cdcc874869cefadb3fe61a71e391f49e4
SIZE (massxpert-2.3.6.tar.gz) = 14197098