Mercurial > repos > marcel > caddsuite_linux_x86_64

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

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
15
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
1 #!/bin/sh
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
2
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
3 ./bin2hex.pl aromatic.txt AromaticData >aromatic.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
4 ./bin2hex.pl atomtyp.txt AtomTypeData >atomtyp.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
5 ./bin2hex.pl bondtyp.txt BondTypeData >bondtyp.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
6 ./bin2hex.pl element.txt ElementData >element.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
7 ./bin2hex.pl isotope-small.txt IsotopeData ISOTOPE >isotope.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
8 ./bin2hex.pl phmodel.txt PhModelData PHMODELDATA >phmodeldata.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
9 ./bin2hex.pl resdata.txt ResidueData >resdata.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
10 ./bin2hex.pl torlib.txt TorsionDefaults >torlib.h
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff changeset
11 ./bin2hex.pl types.txt TypesData >types.h