Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate 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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ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1 #!/bin/sh |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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3 ./bin2hex.pl aromatic.txt AromaticData >aromatic.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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4 ./bin2hex.pl atomtyp.txt AtomTypeData >atomtyp.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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5 ./bin2hex.pl bondtyp.txt BondTypeData >bondtyp.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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6 ./bin2hex.pl element.txt ElementData >element.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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7 ./bin2hex.pl isotope-small.txt IsotopeData ISOTOPE >isotope.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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8 ./bin2hex.pl phmodel.txt PhModelData PHMODELDATA >phmodeldata.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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9 ./bin2hex.pl resdata.txt ResidueData >resdata.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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10 ./bin2hex.pl torlib.txt TorsionDefaults >torlib.h |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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11 ./bin2hex.pl types.txt TypesData >types.h |