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chore: update changelog
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cbouy committed Mar 19, 2023
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13 changes: 12 additions & 1 deletion package/CHANGELOG
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??/??/?? IAlibay, pgbarletta, mglagolev, hmacdope, manuel.nuno.melo, chrispfae,
ooprathamm, MeetB7, BFedder, v-parmar, MoSchaeffler, jbarnoud, jandom,
xhgchen, jaclark5
xhgchen, jaclark5, cbouy
* 2.5.0

Fixes
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analysis.nucleicacids' NucPairDist and WatsonCrickDist classes has been
removed. Please use the `results.pair_distances` and `times` attributes
instead (Issue #3744)
* RDKitConverter changes (part of Issue #3996):
* moved some variables (`MONATOMIC_CATION_CHARGES `and
`STANDARDIZATION_REACTIONS`) out of the related functions to allow users
fine tuning them if necessary.
* changed the sorting of heavy atoms when inferring bond orders and
charges: previously only based on the number of unpaired electrons, now
based on this and the number of heavy atom neighbors.
* use RDKit's `RunReactantInPlace` for the standardization reactions, which
should result in a significant speed improvement as we don't need to use
bespoke code to transfer atomic properties from the non-standardized mol
to the standardized one.

Deprecations

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