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update release notes
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@@ -5,6 +5,10 @@
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- The fix for bug #1567 changes the way fragment SMILES are canonicalized.
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MolFragmentToSmiles() and canonicalizeFragment() will now often return
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different results
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- The fix for bug #1604 changes the behavior of QueryAtom::setQuery(), which
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now deletes the current query before setting the new value. If you are using
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QueryAtom::setQuery() from C++ (or possibly Java), be sure that you are not
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also deleting that memory.
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## Acknowledgements:
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Brian Cole, Peter Gedeck, Guillaume Godin, Malitha Kabir, Tuomo Kalliokoski,
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@@ -23,8 +27,6 @@ Nadine Schneider, Matt Swain, Paolo Tosco, Alain Vaucher, Sam Webb,
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- New descriptors: the QED descriptor has been added as have a large collection
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of new 3D descriptors and implementations of the USR and USRCAT fingerprints.
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## New Features and Enhancements:
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- Bring back USR and USRCAT descriptors
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(github pull #1417 from greglandrum)
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@@ -156,7 +158,8 @@ Nadine Schneider, Matt Swain, Paolo Tosco, Alain Vaucher, Sam Webb,
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(github issue #1550 from greglandrum)
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- Fixes double free for Dict::update
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(github pull #1571 from bp-kelley)
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- QueryAtom::setQuery() should delete the old query first
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(github pull #1604 from greglandrum)
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# Release_2017.03.1
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