From b320a304562a6fe6e12628dde3c17ff588efe58a Mon Sep 17 00:00:00 2001 From: Brady Johnston <36021261+BradyAJohnston@users.noreply.github.com> Date: Thu, 5 Jan 2023 16:24:16 +0800 Subject: [PATCH] Update CHANGELOG.md --- CHANGELOG.md | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 9e100f05..d66656e7 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,12 +9,12 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### Added - multi-model `b_factor` is added when importing from `.pdb` files via biotite [#133](https://github.com/BradyAJohnston/MolecularNodes/pull/133) -- 'Invert' optiont to atom_properties and other selection nodes +- 'Invert' field option to atom_properties and other selection nodes to optionally invert the selection ### Fixed - `include_bonds` option was not being utilised on MD import [#132](https://github.com/BradyAJohnston/MolecularNodes/pull/132) -- `MOL_animate_res_wiggle` was wiggling the `OXT` oxygen when a peptide chain ended. Added additional selection to not wiggle atom name 38 -- fixed import of `vdw_radii` for elements not supported by biotite (such as Fe) +- `MOL_animate_res_wiggle` was wiggling the `OXT` (`res_name == 38`) oxygen when a peptide chain ended. Added additional selection to not wiggle this atom, which should only ever appear when a peptide chain terminates. +- fixed import of `vdw_radii` for elements not supported by biotite (such as Fe) by moving vdw_radii to the data dictionary rather than relying on a function from biotite which had a limited dictionary for vdw_radii lookup ## [[2.2.0]](https://github.com/BradyAJohnston/MolecularNodes/releases/tag/v2.2.0) - 2022-03-01