Fall back to useRandomCoords=True if RDKit conformer generation fai…

…ls (#1346) * Add test reproducing #822 * Fall back to `useRandomCoords=True` if first conformer generation fails * Update openff/toolkit/tests/test_toolkits.py Co-authored-by: Jeff Wagner <jwagnerjpl@gmail.com> * Update release history Co-authored-by: Jeff Wagner <jwagnerjpl@gmail.com>
openforcefield · Jul 29, 2022 · 94a569a · 94a569a
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diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -119,6 +119,9 @@ print(value_roundtrip)
 
 ### Behaviors changed and bugfixes
 
+- [PR #1346](https://github.com/openforcefield/openff-toolkit/pull/1346): Conformer generation with RDKit
+  will use `useRandomCoords=True` on a second attempt if the first attempt fails, which sometimes
+  happens with large molecules.
 - [PR #1277](https://github.com/openforcefield/openff-toolkit/pull/1277): Version 0.3 `<Electrostatics>`
   sections of OFFXML files will automatically be up-converted (in memory) to version 0.4 according
   to the recomendations provided in