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Commits on Jan 15, 2021

• Address Issue 3723 (#3724)

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  ricrogz

  authored
  1eced4d

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• fix to add ZLIB_INCLUDE_DIRS for Windows build (#3714)

  k-ujihara

  authored
  759b7a4

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• Fixes issue 1761 (#3679)

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  MaxGreil

  authored
  0aaa703

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• add D-serine and D-tyrosine (#3683)

  magattaca

  authored
  fe2ba0f

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• Check PIL support for tostring and fromstring (#3690)

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  sirbiscuit

  authored
  8463f60

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Commits on Jan 14, 2021

• Make better use of strictParsing for SGroups (#3705)

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  ptosco

  authored
  4084284

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• Added getMessage method to exceptions (#3700)

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  sroughley

  authored
  b1fd950

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• Fix a number of cartridge stability problems (#3720)

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  greglandrum

  authored
  61d0e04

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Commits on Jan 12, 2021

• Fixes #3701 (#3719)

  greglandrum

  authored
  4a30a71

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• add header (#3716)

  ricrogz

  authored
  d0cf7e2

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Commits on Jan 11, 2021

• Support context managers for mol Suppliers and Writers (#3704)

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  greglandrum

  authored
  46a0af8

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Commits on Jan 7, 2021

• Addresses #3693 (#3695)

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  ptosco

  authored
  7fc8fee

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• I think that this is the idiomatic way to control scope for Qt (#3663)

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  d-b-w

  authored
  d376173

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• Add Molbundle search to SWIG (#3698)

  jones-gareth

  authored
  fcd72bb

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• Move MolToSVG() to rdkit.Chem.Draw (Addresses #3694) (#3696)

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  ricrogz

  authored
  88298d6

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Commits on Jan 5, 2021

• R group symmetry (#3565)

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  3 peopleauthored
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Commits on Dec 29, 2020

• Embedder callback (#3668)

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  jasondbiggs

  and

  Jason Biggs

  authored
  1649029

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• add support for generating pattern fps for MolBundles (#3665)

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  greglandrum

  authored
  6805789

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Commits on Dec 25, 2020

• First pass at MolZip (now with bond stereo!) (#3644)

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  bp-kelley

  and

  greglandrum

  authored
  cf9ea71

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• support enumerating from lists of enumerators (#3664)

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  greglandrum

  authored
  36dea7d

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Commits on Dec 22, 2020

• support setting MolDraw2D params using JSON from Python (#3660)

  greglandrum

  authored
  2171f5a

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Commits on Dec 21, 2020

• Support rendering LinkNodes (#3662)

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  greglandrum

  authored
  53782cc

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• Add molecule annotations/notes to MolDraw2D (#3651)

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  greglandrum

  authored
  7d3ce11

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Commits on Dec 19, 2020

• Fix for Github issue 2530 (#3657)

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  MaxGreil

  authored
  f6c23dc

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Commits on Dec 18, 2020

• restrict Qt linkage to Draw libs (#3659)

  ricrogz

  authored
  962e699

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• BondStereo info lost in FragmentOnBonds() (#3649)

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  bp-kelley

  and

  greglandrum

  authored
  81481d5

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Commits on Dec 17, 2020

• A couple of InChI bug fixes (#3656)

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  greglandrum

  authored
  454abb2

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• Fixes #3648 (#3654)

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  greglandrum

  authored
  72340e3

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• Fixes #3646 (#3653)

  greglandrum

  authored
  a7c438f

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• Merge branch 'greglandrum-feat/bond_query_drawing'

  greglandrum

  committed
  03a4305

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• Merge branch 'feat/bond_query_drawing' of https://github.com/greglandrum/rdkit into greglandrum-feat/bond_query_drawing

  greglandrum

  committed
  7564a4a

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• fixes #3635 (#3638)

  ptosco

  authored
  be0f5b0

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Commits on Dec 14, 2020

• Fixes #3089 (#3642)

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  greglandrum

  authored
  df47393

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• update catch2 to work with apple silicon (#3641)

  naefl

  authored
  2fe69ee

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Commits on Dec 12, 2020

• Fixes a few residual issues with the RGD code (#3606)

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  ptosco

  authored
  5e31c97

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