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massXpert mass spectrometry package 1.6.6 - Software for linear (bio-)p

Subject: massXpert mass spectrometry package 1.6.6 - Software for linear (bio-)polymer mass spectrometry.
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Date: Sun, 23 Sep 2007 15:39:19 +0000 UTC
Newsgroups: fm.announce
massXpert mass spectrometry package 1.6.6  
  by filippo rusconi (http://freshmeat.net/~FilippoRusconi/)
  Sun, Sep 23rd 2007 08:39 

About:
The massXpert software package is a mass spectrometry environment for
linear (bio-)polymers. It inherits all the innovations of GNU polyxmass.
It allows the detailed definition of new polymer chemistries in the
XpertDef module. These chemistry definitions are then used in the desktop
calculator-like mass calculator (XpertCalc) and in the sophisticated
polymer sequence editor and (bio-)chemical/mass spectrometric simulations
module (XpertEdit). Available simulations include polymer and monomer
chemical modifications, polymer sequence cleavage, gas-phase
fragmentation, m/z ratio calculations, and more. 

Changes:
When cleaving or fragmenting a sequence, you may now ask for the generation
of cleavage- or fragmentation-based oligomers of any given ionization
state. For example, when cleaving a protein using an enzyme, it is
possible to ask that the generated peptides be in an ionized state between
z=1 and z=5. A bug with the acido-basicity calculations where the user
could only enter integer pH values was fixed. Double values (precision 2
decimals) may now be used to allow finer grained calculations. Various
minor bugs were fixed.  

Release focus: Major feature enhancements 
      License: GNU General Public License (GPL) 
  Project URL: http://freshmeat.net/projects/massxpert/

            Homepage: 
http://freshmeat.net/redir/massxpert/70212/url_homepage/www.massxpert.org
              Tar/GZ: http://freshmeat.net/redir/massxpert/70212/url_tgz/source
      Debian package: 
http://freshmeat.net/redir/massxpert/70212/url_deb/gnulinux
 
 
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