cvs commit: ports/science Makefile ports/science/massxpert Makefile distinfo pkg-descr pkg-plist

[Wen Heping]

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 at 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)