Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite-1.5/data/OpenBabel/genheaders.sh @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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14:55c32b55c2c2 15:ac342506cd4e
1 #!/bin/sh
2
3 ./bin2hex.pl aromatic.txt AromaticData >aromatic.h
4 ./bin2hex.pl atomtyp.txt AtomTypeData >atomtyp.h
5 ./bin2hex.pl bondtyp.txt BondTypeData >bondtyp.h
6 ./bin2hex.pl element.txt ElementData >element.h
7 ./bin2hex.pl isotope-small.txt IsotopeData ISOTOPE >isotope.h
8 ./bin2hex.pl phmodel.txt PhModelData PHMODELDATA >phmodeldata.h
9 ./bin2hex.pl resdata.txt ResidueData >resdata.h
10 ./bin2hex.pl torlib.txt TorsionDefaults >torlib.h
11 ./bin2hex.pl types.txt TypesData >types.h