Mercurial > repos > marcel > caddsuite_linux_x86_64

view CADDSuite-1.0.1/data/OpenBabel/genheaders.sh @ 9:2cff9609f2c7

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author marcel
date Tue, 15 Nov 2011 10:40:26 -0500
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#!/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