Greg Landrum 9a04aea918 Improvements to reaction chirality handling (#3412) ...

* add tests for the problem

* more testing (still no fix)

* Fixes #2891

Try to be more robust w.r.t. atom reordering in input SMILES

* better handling of differing numbers of bonds between reactants and products

all tests now passing

* update the rdkit book with more details about chirality in reactions

* changes in response to review

2020-09-18 09:33:26 +02:00

..

Analysis

this could have been added long ago

2012-02-16 04:29:46 +00:00

Book

Improvements to reaction chirality handling (#3412)

2020-09-18 09:33:26 +02:00

Book_jp

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

Code

Add new CIP labelling algorithm (#3234)

2020-07-07 20:34:33 +02:00

Images

add a square white background

2015-12-05 04:57:19 +01:00

Notebooks

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

RD.css

Unset executable flag

2019-10-10 20:18:43 +09:00