Date: Thu, 20 May 2010 09:43:14 +0000 (UTC) From: Wen Heping <wen@FreeBSD.org> To: ports-committers@FreeBSD.org, cvs-ports@FreeBSD.org, cvs-all@FreeBSD.org Subject: cvs commit: ports/science Makefile ports/science/massxpert Makefile distinfo pkg-descr pkg-plist Message-ID: <201005200943.o4K9hEAD000151@repoman.freebsd.org>
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wen 2010-05-20 09:43:14 UTC
FreeBSD ports repository
Modified files:
science Makefile
Added files:
science/massxpert Makefile distinfo pkg-descr pkg-plist
Log:
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>
Revision Changes Path
1.189 +1 -0 ports/science/Makefile
1.1 +28 -0 ports/science/massxpert/Makefile (new)
1.1 +3 -0 ports/science/massxpert/distinfo (new)
1.1 +20 -0 ports/science/massxpert/pkg-descr (new)
1.1 +225 -0 ports/science/massxpert/pkg-plist (new)
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