From ee5a0966d0af141cc0e12111e2b34e4da5080ba1 Mon Sep 17 00:00:00 2001 From: Sarah Naomi Bolz Date: Mon, 27 Oct 2025 11:51:13 +0100 Subject: [PATCH] update CHANGES.txt --- CHANGES.txt | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/CHANGES.txt b/CHANGES.txt index 741042a..51b4c85 100644 --- a/CHANGES.txt +++ b/CHANGES.txt @@ -1,5 +1,15 @@ Changelog --------- +# 3.0.0 +* added new `--regions` flag to enable detection of interactions between protein regions (by @snbolz) +* reworked XML and TXT report file naming; changes default behavior +* introduced pyproject.toml to ensure compliance with Python packaging standards +* updated Dockerfile +* fixed switched coordinates of halogen bond acceptor and donor atoms +* fixed handling of PDB input passed as string +* fixed handling of modified residues in protein and peptide ligands +* several minor bug fixes + # 2.4.0 * new "--chains" flag to enable detection of interactions between protein chains by @PhiCMS and @snbolz * update setup.py, attempt to fix and install broken python openbabel bindings 3.1.1.1