From 14ebe5fa80a8b25face08472df287e91adae6e37 Mon Sep 17 00:00:00 2001 From: harryswift01 Date: Mon, 7 Sep 2026 15:07:26 +0100 Subject: [PATCH 1/2] chore: corrected logo file path locations and include example usage demo --- README.md | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/README.md b/README.md index 4a81c76..949dd5f 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,5 @@ -

- - - +prepmd +============================== | Category | Badges | |----------------|--------| @@ -11,14 +9,16 @@ | **Anaconda** | [![Anaconda.org](https://anaconda.org/CCPBioSim/prepmd/badges/version.svg)](https://anaconda.org/CCPBioSim/prepmd/) [![Last Updated](https://anaconda.org/CCPBioSim/prepmd/badges/latest_release_date.svg)](https://anaconda.org/CCPBioSim/prepmd) [![Platforms](https://anaconda.org/CCPBioSim/prepmd/badges/platforms.svg)](https://anaconda.org/CCPBioSim/prepmd) [![License](https://anaconda.org/CCPBioSim/prepmd/badges/license.svg)](https://anaconda.org/CCPBioSim/prepmd) [![Downloads](https://anaconda.org/CCPBioSim/prepmd/badges/downloads.svg)](https://anaconda.org/CCPBioSim/prepmd)| | **Quality** | [![Coverage Status](https://coveralls.io/repos/github/CCPBioSim/prepmd/badge.svg?branch=main)](https://coveralls.io/github/CCPBioSim/prepmd?branch=main) | -A utility to automatically prepare structures from the PDB for molecular dynamics simulation and perform minimisations and simple MD simulations. -## Example usage

- prepmd logo - prepmd logo + prepmd logo + prepmd logo

+A utility to automatically prepare structures from the PDB for molecular dynamics simulation and perform minimisations and simple MD simulations. + +## Example usage +demo ## Features * Automatically download structures, sequences and metadata from the PDB, PDB-REDO, EMDB and UNIPROT From 51c65ae06870c6361ad6bae5b930a7827069535f Mon Sep 17 00:00:00 2001 From: harryswift01 Date: Mon, 7 Sep 2026 15:09:42 +0100 Subject: [PATCH 2/2] chore: reorder paragraph placement within `README.md` --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 949dd5f..d86aec6 100644 --- a/README.md +++ b/README.md @@ -9,13 +9,13 @@ prepmd | **Anaconda** | [![Anaconda.org](https://anaconda.org/CCPBioSim/prepmd/badges/version.svg)](https://anaconda.org/CCPBioSim/prepmd/) [![Last Updated](https://anaconda.org/CCPBioSim/prepmd/badges/latest_release_date.svg)](https://anaconda.org/CCPBioSim/prepmd) [![Platforms](https://anaconda.org/CCPBioSim/prepmd/badges/platforms.svg)](https://anaconda.org/CCPBioSim/prepmd) [![License](https://anaconda.org/CCPBioSim/prepmd/badges/license.svg)](https://anaconda.org/CCPBioSim/prepmd) [![Downloads](https://anaconda.org/CCPBioSim/prepmd/badges/downloads.svg)](https://anaconda.org/CCPBioSim/prepmd)| | **Quality** | [![Coverage Status](https://coveralls.io/repos/github/CCPBioSim/prepmd/badge.svg?branch=main)](https://coveralls.io/github/CCPBioSim/prepmd?branch=main) | +A utility to automatically prepare structures from the PDB for molecular dynamics simulation and perform minimisations and simple MD simulations.

prepmd logo prepmd logo

-A utility to automatically prepare structures from the PDB for molecular dynamics simulation and perform minimisations and simple MD simulations. ## Example usage demo