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Commits on Oct 7, 2014

• Update URLs to InChI API after inchi-trust.org website redesign.

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  rwest

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• update get_mfp2_neighbors function in cartridge docs

  greglandrum

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Commits on Oct 4, 2014

• Fixes #337

  greglandrum

  committed
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• fix a typo in the avalontools tests

  greglandrum

  committed
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• part of #338 (C++ version still needs to be done)

  greglandrum

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Commits on Oct 3, 2014

• Merge remote-tracking branch 'origin/master'

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Commits on Oct 2, 2014

• part of fixing #336 (when conformers are present, pass them through unmodified to the avalon toolkit)

  greglandrum

  committed
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• start updating release notes

  greglandrum

  committed
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Commits on Sep 30, 2014

• get the windows build working again

  greglandrum

  committed
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Commits on Sep 21, 2014

• fixes #335 ;

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  greglandrum

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Commits on Sep 18, 2014

• get this building on the mac

  greglandrum

  committed
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• remove a compiler warning

  greglandrum

  committed
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Commits on Sep 17, 2014

• Fixes #334

  greglandrum

  committed
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Commits on Sep 16, 2014

• Fixes #327

  greglandrum

  committed
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• Merge pull request #330 from rvianello/py3-pandastools-ipythonconsole

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  greglandrum

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Commits on Sep 15, 2014

• remove dependency from numpy's oldnumeric

  rvianello

  committed
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Commits on Sep 11, 2014

• python3 portability fixes for pandas and the ipython notebook

  rvianello

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Commits on Aug 28, 2014

• Merge pull request #322 from jandom/Issue_320

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  greglandrum

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Commits on Aug 27, 2014

• some code cleanup

  greglandrum

  committed
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• smiles tests now pass as well

  greglandrum

  committed
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• Issue #320 Making GetBestRMS more idiot-proof

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  jandom

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• backup

  greglandrum

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Commits on Aug 26, 2014

• Merge pull request #321 from NadineSchneider/master

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  greglandrum

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• Fix defaults in ReactionFp parameter struct

  

  Schneider

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Commits on Aug 25, 2014

• Merge pull request #319 from NadineSchneider/master

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  greglandrum

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• ChemReactionUtils: remove unused/specialized functions from interface

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  Schneider

  committed
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• fix MMFF atom-type initialization problem with Hs

  greglandrum

  committed
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• Fixes #317

  greglandrum

  committed
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Commits on Aug 24, 2014

• remove some compile problems

  greglandrum

  committed
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• add some docs

  greglandrum

  committed
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• Merge branch 'master' into fmcs_port_21Feb2014

  greglandrum

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• Merge pull request #316 from jandom/Feature_ColorHighlightAtoms

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  greglandrum

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Commits on Aug 23, 2014

• Custom color to highlight atoms in Mol2Image

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  jandom

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Commits on Aug 21, 2014

• Fixes #314

  greglandrum

  committed
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• cleanup cartridge makefile and document command-line options

  greglandrum

  committed
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