rdkit

gmwrapper

additional functionality required by the knime nodes

2011-04-12 10:07:52 +00:00

AddHs.i

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2011-04-08 02:46:35 +00:00

Atom_doc.i

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Atom.i

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2011-04-07 05:22:00 +00:00

AtomIterators.i

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AtomPairs.i

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BitOps.i

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2011-04-07 05:22:00 +00:00

Bond_doc.i

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2011-04-08 02:46:35 +00:00

Bond.i

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

BondIterators_doc.i

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2011-04-08 02:46:35 +00:00

BondIterators.i

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build_docs.sh

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2011-04-08 02:48:25 +00:00

Canon.i

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ChemReactions_doc.i

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ChemReactions.i

additional functionality required by the knime nodes

2011-04-12 10:07:52 +00:00

CMakeLists.txt

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

Conformer_doc.i

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Conformer.i

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Descriptors.i

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DistGeom.i

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ErrorGenerator.i

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2011-04-07 05:22:00 +00:00

ExplicitBitVect_doc.i

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ExplicitBitVect.i

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

Fingerprints.i

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ForceField.i

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

GenericRDKitException.h

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2011-04-08 02:46:35 +00:00

Inchi.i

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Lipinski.java

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make_templates.py

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

MolOps.i

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MolSupplier.i

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MolTransforms.i

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MolWriters.i

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MorganFingerprints.i

additional functionality required by the knime nodes

2011-04-12 10:07:52 +00:00

parse_doxy_html.py

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

PeriodicTable_doc.i

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PeriodicTable.i

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Point3D_doc.i

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2011-04-07 05:22:00 +00:00

point.i

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QueryAtom_doc.i

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QueryAtom.i

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2011-04-07 05:22:00 +00:00

QueryBond_doc.i

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QueryBond.i

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QueryOps.i

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

RDKFuncs_doc.i

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RDKitExceptions.i

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RingInfo_doc.i

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RingInfo.i

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Rings.i

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2011-04-07 05:22:00 +00:00

RohdeLib.i

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ROMol_doc.i

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

ROMol.i

additional functionality required by the knime nodes

2011-04-12 10:07:52 +00:00

RWMol_doc.i

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

RWMol.i

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SanitException.i

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2011-04-07 05:22:00 +00:00

SDMolSupplier_doc.i

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SmartsWrite.i

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SmilesMolSupplier_doc.i

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SmilesParse.i

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SmilesParseOps.i

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SmilesWrite.i

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SmilesWriter_doc.i

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TDTMolSupplier_doc.i

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TDTWriter_doc.i

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Transform2D_doc.i

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Transform3D_doc.i

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transforms.i

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types.i

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