From 9206ad325a930798dd6e423805ccbec2a93b26a2 Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Mon, 17 Feb 2025 13:43:14 -0800 Subject: [PATCH] reordering tutorials --- docs/tutorials/index.rst | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/docs/tutorials/index.rst b/docs/tutorials/index.rst index 13b091d3c..58af9ba01 100644 --- a/docs/tutorials/index.rst +++ b/docs/tutorials/index.rst @@ -9,12 +9,6 @@ OpenFE has several tutorial notebooks which are maintained on our Here is a list of key tutorials which cover the different aspects of the OpenFE tooling: -Generating Partial Charges --------------------------- - -The :ref:`Generating Partial Charges CLI tutorial ` demonstrates -how the command line interface can be used to assign and store partial charges for small molecules which -can be used throughout the OpenFE ecosystem. Relative Free Energies ---------------------- @@ -47,6 +41,12 @@ The :any:`Absolute Solvation Free Energy Protocol ` tutorial walks users through how to calculate the hydration free energy of a benzene ligand. +Generating Partial Charges +-------------------------- + +The :ref:`Generating Partial Charges CLI tutorial ` demonstrates +how the command line interface can be used to assign and store partial charges for small molecules which +can be used throughout the OpenFE ecosystem. Molecular Dynamics (MD) ----------------------- @@ -73,10 +73,10 @@ and plot networks of relative free energy results. :maxdepth: 1 :hidden: - charge_molecules_cli_tutorial + showcase_notebook rbfe_cli_tutorial rbfe_python_tutorial - showcase_notebook - md_tutorial ahfe_tutorial + charge_molecules_cli_tutorial + md_tutorial plotting_with_cinnabar