Files
rdkit/Code/GraphMol/test_data/CDXML/stereo5.cdxml
Greg Landrum fcfbb7b083 Fix a couple CDXML issues (#6463)
* Scale bonds, make the Wedge detection cleaner, add more tests

* Readd comment

* Use document bond length

* Adds roundtrip test through a molblock

* a bit of cleanup

* change expected results for a bogus structure
add a non-ambiguous version of it

* fixes #6462

* document incompatibility

---------

Co-authored-by: Brian Kelley <bkelley@relaytx.com>
2023-06-15 05:05:33 +02:00

599 lines
10 KiB
XML

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ChemPropMR="MR: "
ChemPropHenry="Henry&apos;s Law: "
ChemPropEForm="Heat of Form: "
ChemProptPSA="tPSA: "
ChemPropID=""
ChemPropFragmentLabel=""
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