Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.5/data/OpenBabel/genheaders.sh @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.5/data/OpenBabel/genheaders.sh Tue Jul 24 11:08:49 2012 -0400 @@ -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