From 8045c151cbc5fa4b728689eb4f713788f40326ff Mon Sep 17 00:00:00 2001 From: Jeff Wagner Date: Tue, 1 Aug 2023 19:13:40 -0700 Subject: [PATCH] update releasehistory (#1677) --- docs/releasehistory.md | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/docs/releasehistory.md b/docs/releasehistory.md index 2f9acca17..19f289971 100644 --- a/docs/releasehistory.md +++ b/docs/releasehistory.md @@ -7,7 +7,7 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w * `micro` increments represent bugfix releases or improvements in documentation -## Current development +## 0.14.1 ### API-breaking changes - [PR #1664](https://github.com/openforcefield/openff-toolkit/pull/1664): Removes `ChemicalEnvironment` and the entire `openff.toolkit.typing.chemistry` submodule, which was deprecated in 0.12.0. @@ -15,14 +15,15 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w ### Behavior changes - [PR #1675](https://github.com/openforcefield/openff-toolkit/pull/1675): Makes InChI parsing failures more informative and gives them their own exception type, `InChIParseError`. +### New features +- [PR #1627](https://github.com/openforcefield/openff-toolkit/pull/1627): (beta release of major new feature by @connordavel) Adds experimental support for custom substructure loading in `Topology.from_pdb`, via the `_custom_substructures` keyword argument. This will be added to the public API (by removing the leading underscore) in a future feature release, but is available for testing now. This feature should allow for easier loading of modified amino acids, nucleic acids, and other polymers. + + ### Bugfixes - [PR #1662](https://github.com/openforcefield/openff-toolkit/pull/1662): Fixes issue [#1660](https://github.com/openforcefield/openff-toolkit/issues/1660) by forbidding the registration of `HierarchyScheme`s with iterator names that conflict with existing `Molecule` attributes. - [PR #1667](https://github.com/openforcefield/openff-toolkit/pull/1667): A more helpful exception is now raised when `Topology.from_openmm` is given an OpenMM Topology with virtual sites. -### New features -- [PR #1627](https://github.com/openforcefield/openff-toolkit/pull/1627): (beta release of major new feature by @connordavel) Adds experimental support for custom substructure loading in `Topology.from_pdb`, via the `_custom_substructures` keyword argument. This will be added to the public API (by removing the leading underscore) in a future feature release, but is available for testing now. This feature should allow for easier loading of modified amino acids, nucleic acids, and other polymers. - ### Examples updated - [PR #1671](https://github.com/openforcefield/openff-toolkit/pull/1671): Re-rendered all examples using RDKit+AmberTools backend, and using most recent version of OFF Toolkit.