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From: Wen Heping <wen@FreeBSD.org>
Date: Thu, 20 May 2010 09:43:14 +0000 (UTC)
To: ports-committers@FreeBSD.org, cvs-ports@FreeBSD.org, cvs-all@FreeBSD.org
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Subject: cvs commit: ports/science Makefile ports/science/massxpert
 Makefile distinfo pkg-descr pkg-plist
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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)