Greg Landrum 2620dcba2f first pass at constrained conformation generation

2008-07-15 05:31:45 +00:00

..

test_data

first pass at constrained conformation generation

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Wrap

first pass at constrained conformation generation

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BoundsMatrixBuilder.cpp

this is a mass of cleanup stuff; mostly line endings

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BoundsMatrixBuilder.h

this is a mass of cleanup stuff; mostly line endings

2008-07-07 13:21:24 +00:00

Embedder.cpp

first pass at constrained conformation generation

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Embedder.h

first pass at constrained conformation generation

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Jamfile

first pass at constrained conformation generation

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test_list.py

initial import

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testDgeomHelpers.cpp

first pass at constrained conformation generation

2008-07-15 05:31:45 +00:00