Add DSSP v4 support to do_dssp

[alexxy/gromacs.git] / docs / release-notes / 2022 / major / tools.rst

diff --git a/docs/release-notes/2022/major/tools.rst b/docs/release-notes/2022/major/tools.rst
index b1612a9822530766d66fb7e3187793e0f504f3e2..882df1162f16e4729c62c5eb75974ff70db3d575 100644 (file)
--- a/docs/release-notes/2022/major/tools.rst
+++ b/docs/release-notes/2022/major/tools.rst
@@ -44,3 +44,12 @@ removed, because it served no purpose. This makes ``gmx chi`` easier to use.
 
 Reporting about file handling and input-file column contents are easier to
 follow.
+
+``gmx do_dssp`` supports DSSP version 4
+"""""""""""""""""""""""""""""""""""""""
+
+The newer DSSP version 4 program can be used by ``do_dssp`` by specifying 
+option ``-ver 4`` and setting the DSSP environement variable to the ``mkdssp``
+executable path (e.g. ``setenv DSSP /opt/dssp/mkdssp``)
+
+:issue:`4129`