diff --git a/includes/data/software.yml b/includes/data/software.yml index 6a892dae7..5a4372684 100644 --- a/includes/data/software.yml +++ b/includes/data/software.yml @@ -6482,18 +6482,18 @@ software_modules: and analyzing X-ray absorption and fluorescence spectroscopy data and X-ray fluorescence and diffraction image data from synchrotron beamlines., markedDefault: false, versionName: 0.9.80_py312} - - categories: chemistry, tools + - categories: chemistry, molecular dynamics defaultVersionName: 8.1.1_py312 - description: Python bindings for Open Babel. + description: A high performance toolkit for molecular simulation. package: py-openmm - url: http://openbabel.org/ + url: http://openmm.org versions: - description: A high performance toolkit for molecular simulation. markedDefault: false properties: arch: {gpu: 1} versionName: 7.1.1_py27 - - description: Python bindings for Open Babel. + - description: A high performance toolkit for molecular simulation. markedDefault: false properties: arch: {gpu: 1} diff --git a/src/docs/software/updates.xml b/src/docs/software/updates.xml index c1e9e1536..08d6471d9 100644 --- a/src/docs/software/updates.xml +++ b/src/docs/software/updates.xml @@ -25,10 +25,10 @@ New module: chemistry/py-openmm version 8.1.1_py312 - Python bindings for Open Babel. - http://openbabel.org/ + A high performance toolkit for molecular simulation. + http://openmm.org https://www.sherlock.stanford.edu/docs/software/list/?add:v=8.1.1_py312#py-openmm - chemistry, tools + chemistry, molecular dynamics kilian@stanford.edu (Kilian Cavalotti) Fri, 13 Dec 2024 15:05:05 -0800