comparison CADDSuite-1.0.1/data/OpenBabel/genheaders.sh @ 23:389056b8864a

Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Mon, 14 Nov 2011 17:02:30 -0500
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22:2615b9ede2c4 23:389056b8864a
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