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Commits on Oct 5, 2020

• RGD cleanup, optimization and a better fix for #1705 (#3428)

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  ptosco

  and

  bp-kelley

  authored
  5e71c91

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Commits on Oct 4, 2020

• A few small tweaks to the drawing code (#3464)

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  greglandrum

  authored
  d1be88c

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• clang-format MolDraw2D (#3463)

  greglandrum

  authored
  f41aa03

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• Fixed bad draw scale in drawMolecules. Github3391. Take 2. (#3424)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  59dad32

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• Fixes #3460 (#3461)

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  greglandrum

  authored
  f3afc3e

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Commits on Oct 3, 2020

• A few improvements to MolStandardize::Normalizer (#3455)

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  ptosco

  authored
  810ea84

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Commits on Oct 2, 2020

• fix documentation typo

  greglandrum

  authored
  717c62d

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• change default precision for coordgen (#3452)

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  greglandrum

  authored
  895437f

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• - MolStandardize::chargeParent() does not need to call cleanup because it calls fragmentParent() which already does (#3454)

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  ptosco

  authored
  bc4d547

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Commits on Oct 1, 2020

• Fix dead links to inchi-trust (#3451)

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  jvansan

  authored
  34d4e8e

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• add coordgen support to demo.html (#3453)

  greglandrum

  authored
  45edc83

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Commits on Sep 30, 2020

• expose templated coordinate generation to the JS Wrapper (#3450)

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  greglandrum

  authored
  71e60af

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• expose PNG metadata functions to python (#3440)

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  greglandrum

  authored
  000120e

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• update minimallib python requirements to python3 (#3449)

  greglandrum

  authored
  d47650b

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• set the ChiralityPossible tag when using the new code with FindMolChiralCenters() (#3434)

  greglandrum

  authored
  71b497e

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Commits on Sep 29, 2020

• Replace basestring (#3441)

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  iammosespaulr

  authored
  2c26af2

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Commits on Sep 28, 2020

• Add support for abbreviations (#3406)

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  greglandrum

  authored
  d2d8790

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• Code modernization and an optimization (#3437)

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  ptosco

  authored
  1775eee

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Commits on Sep 27, 2020

• - silence deprecation warning as the test is meant to test the deprecated version (#3439)

  ptosco

  authored
  e666eb7

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Commits on Sep 26, 2020

• fixes #3430 (#3436)

  ptosco

  authored
  f6e5d7a

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Commits on Sep 24, 2020

• Some work on TautomerEnumerator (#3327)

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  ptosco

  and

  greglandrum

  authored
  527a7ad

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• Replace fill-opacity= to fill-opacity: in reaction.out (#3426)

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  daverona

  and

  arontier-egkim

  authored
  a19072f

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• Add better support for isotopic Hs to removeHs() and addHs() (#3396)

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  ptosco

  and

  greglandrum

  authored
  24e644d

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Commits on Sep 23, 2020

• MolEnumerator::enumerate() should call updatePropertyCache() (#3420)

  greglandrum

  authored
  9bcd28a

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Commits on Sep 18, 2020

• Fixes: #3415 (#3416)

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  greglandrum

  authored
  d65d471

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• Improvements to reaction chirality handling (#3412)

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  greglandrum

  authored
  9a04aea

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• Allow passing explicit removeHs, sanitize and strict flags to the MDL rxn parser (#3411)

  ptosco

  authored
  4510bec

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• Scale line width3305 (#3380)

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  3 peopleauthored
  cc705a2

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• Fixes #3413 (#3414)

  greglandrum

  authored
  819e46e

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Commits on Sep 17, 2020

• Fixes a couple of query-related bugs (#3398)

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  ptosco

  authored
  a9da055

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Commits on Sep 11, 2020

• Enable recursive smarts in the rgroup decomposition (#3404)

  bp-kelley

  authored
  635cfbf

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• [WIP] Deprotection Library (#3294)

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  bp-kelley

  authored
  202c863

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Commits on Sep 10, 2020

• Fixes #3403 (#3405)

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  bp-kelley

  authored
  728bb8d

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Commits on Sep 9, 2020

• Sgroup (#3390)

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  jones-gareth

  authored
  9a864f4

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Commits on Sep 7, 2020

• Fixes #3392 (#3395)

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  greglandrum

  authored
  db68b21

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