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>

1 files changed, 1 insertions, 0 deletions

diff --git a/science/Makefile b/science/Makefile
index 830c08741dce..54bc8937ca49 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -82,6 +82,7 @@
     SUBDIR += libsvm
     SUBDIR += libsvm-python
     SUBDIR += linsmith
+    SUBDIR += massxpert
     SUBDIR += mayavi
     SUBDIR += mbdyn
     SUBDIR += mcstas