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Author: tim
Date: Wed Nov 16 19:42:11 2005 UTC (18 years, 8 months ago)
Log Message: 
adding openbabel

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Directorytrunk/OOPSE-2.0/src/openbabel/ added
Directorytrunk/OOPSE-2.0/src/openbabel/Makefile added
Directorytrunk/OOPSE-2.0/src/openbabel/aromatic.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/atom.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/atomtyp.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/babelconfig.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/base.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/base.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/bitvec.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/bitvec.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/bond.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/bondtyp.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/bondtyper.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/bondtyper.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/chains.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/chains.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/chiral.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/chiral.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/config.h.in added
Directorytrunk/OOPSE-2.0/src/openbabel/config.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/data.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/data.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/element.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/extable.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/fingerprint.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/fingerprint.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/generic.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/generic.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/grid.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/grid.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/isotope.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/kekulize.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/matrix.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/matrix.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/matrix3x3.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/matrix3x3.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/mol.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/mol.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/molchrg.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/molchrg.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obconversion.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obconversion.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obconversion.lo added
Directorytrunk/OOPSE-2.0/src/openbabel/oberror.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/oberror.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obiter.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obiter.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obmolecformat.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obutil.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/obutil.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/oopseformat.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/parsmart.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/parsmart.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/patty.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/patty.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/pdbformat.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/phmodel.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/phmodel.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/phmodeldata.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/rand.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/reaction.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/resdata.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/residue.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/ring.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/ring.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/rotamer.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/rotamer.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/rotor.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/rotor.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/snprintf.c added
Directorytrunk/OOPSE-2.0/src/openbabel/snprintf.h added
Directorytrunk/OOPSE-2.0/src/openbabel/strncasecmp.c added
Directorytrunk/OOPSE-2.0/src/openbabel/tinkerformat.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/tokenst.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/torlib.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/transform.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/typer.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/typer.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/types.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/vector3.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/vector3.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/xyzformat.cpp added
Directorytrunk/OOPSE-2.0/src/openbabel/zipstream.hpp added
Directorytrunk/OOPSE-2.0/src/openbabel/zipstreamimpl.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/ added
Directorytrunk/OOPSE-3.0/src/openbabel/Makefile added
Directorytrunk/OOPSE-3.0/src/openbabel/aromatic.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/atom.cpp added
Directorytrunk/OOPSE-3.0/src/openbabel/atomtyp.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/babelconfig.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/base.cpp added
Directorytrunk/OOPSE-3.0/src/openbabel/base.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/bitvec.cpp added
Directorytrunk/OOPSE-3.0/src/openbabel/bitvec.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/bond.cpp added
Directorytrunk/OOPSE-3.0/src/openbabel/bondtyp.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/bondtyper.cpp added
Directorytrunk/OOPSE-3.0/src/openbabel/bondtyper.hpp added
Directorytrunk/OOPSE-3.0/src/openbabel/chains.cpp added
Directorytrunk/OOPSE-3.0/src/openbabel/chains.hpp added