Mercurial > repos > marcel > caddsuite_linux_x86_64

diff CADDSuite-1.0/data/OpenBabel/genheaders.sh @ 14:55c32b55c2c2

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:00:43 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0/data/OpenBabel/genheaders.sh	Thu Jan 12 11:00:43 2012 -0500
@@ -0,0 +1,11 @@
+#!/bin/sh
+
+./bin2hex.pl aromatic.txt AromaticData >aromatic.h
+./bin2hex.pl atomtyp.txt AtomTypeData >atomtyp.h
+./bin2hex.pl bondtyp.txt BondTypeData >bondtyp.h
+./bin2hex.pl element.txt ElementData >element.h
+./bin2hex.pl isotope-small.txt IsotopeData ISOTOPE >isotope.h
+./bin2hex.pl phmodel.txt PhModelData PHMODELDATA >phmodeldata.h
+./bin2hex.pl resdata.txt ResidueData >resdata.h
+./bin2hex.pl torlib.txt TorsionDefaults >torlib.h
+./bin2hex.pl types.txt TypesData >types.h