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, 28 insertions, 0 deletions

diff --git a/science/massxpert/Makefile b/science/massxpert/Makefile
new file mode 100644
index 000000000000..869fa6cb7c50
--- /dev/null
+++ b/science/massxpert/Makefile
@@ -0,0 +1,28 @@
+# New ports collection makefile for:	massxpert
+# Date created:		2010-05-14
+# Whom:			Gvozdikov Veniamin <g.veniamin@googlemail.com>
+#
+# $FreeBSD$
+#
+
+PORTNAME=	massxpert
+PORTVERSION=	2.3.6
+CATEGORIES=	science
+MASTER_SITES=	http://download.tuxfamily.org/massxpert/source/
+
+MAINTAINER=	g.veniamin@googlemail.com
+COMMENT=	The massXpert software for (bio)chemists
+
+USE_QT_VER=	4
+USE_CMAKE=	yes
+USE_LDCONFIG=	yes
+QT_COMPONENTS=	gui xml rcc_build qmake_build uic_build moc_build \
+		svg
+
+.include <bsd.port.pre.mk>
+
+.if ${OSVERSION} < 700000
+CMAKE_USE_PTHREAD=	yes
+.endif
+
+.include <bsd.port.post.mk>