From 6fc901f7561215c4f035ab339c4c02ae44cd18e1 Mon Sep 17 00:00:00 2001 From: MoSchaeffler <104832726+MoSchaeffler@users.noreply.github.com> Date: Wed, 1 Mar 2023 22:40:09 +0100 Subject: [PATCH] resolved Issue #4026 (PR #4049) * fix #4026 * fixed syntax error in h-bonds example docs (added missing brackets in the package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py documentation) * added @MoSchaeffler to contributors --- package/AUTHORS | 2 +- package/CHANGELOG | 2 +- package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py | 4 ++-- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/package/AUTHORS b/package/AUTHORS index 43028566a9a..5eccc568255 100644 --- a/package/AUTHORS +++ b/package/AUTHORS @@ -207,7 +207,7 @@ Chronological list of authors - Pratham Chauhan - Meet Brijwani - Vishal Parmar - + - Moritz Schaeffler External code ------------- diff --git a/package/CHANGELOG b/package/CHANGELOG index 00a5a6b8b63..a841a6c5d8d 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -15,7 +15,7 @@ The rules for this file: ------------------------------------------------------------------------------ ??/??/?? IAlibay, pgbarletta, mglagolev, hmacdope, manuel.nuno.melo, chrispfae, - ooprathamm, MeetB7, BFedder, v-parmar + ooprathamm, MeetB7, BFedder, v-parmar, MoSchaeffler * 2.5.0 Fixes diff --git a/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py b/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py index 21b08a3d457..d2ae4afe202 100644 --- a/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py +++ b/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py @@ -163,8 +163,8 @@ water_hydrogens_sel = "resname TIP3 and name H1 H2" water_acceptors_sel = "resname TIP3 and name OH2" - hbonds.hydrogens_sel = f"({protein_hydrogens_sel}) or ({water_hydrogens_sel}" - hbonds.acceptors_sel = f"({protein_acceptors_sel}) or ({water_acceptors_sel}" + hbonds.hydrogens_sel = f"({protein_hydrogens_sel}) or ({water_hydrogens_sel})" + hbonds.acceptors_sel = f"({protein_acceptors_sel}) or ({water_acceptors_sel})" hbonds.run()