From 1b75756df68d0912935b0543e1a0c18958f87bd6 Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Mon, 17 Feb 2025 23:28:52 +0100 Subject: [PATCH] update scoring example README --- examples/scoring/README.md | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/examples/scoring/README.md b/examples/scoring/README.md index 3e79b4d0a..a936810d5 100644 --- a/examples/scoring/README.md +++ b/examples/scoring/README.md @@ -9,11 +9,13 @@ OpenStructure provides "actions" for general benchmarking use cases. polymer entities and non-polymer entities, i.e. small molecule ligands The example commands here assume an OpenStructure installation -(compile instructions: https://openstructure.org/docs/dev/install/). Detailed -instructions for running equivalent computations are available for +(compile instructions: https://openstructure.org/docs/dev/install/). +Running the computations in containers provide a considerably easier setup than +compiling OpenStructure from source. Instructions for setup and running +equivalent computations are available for * Docker: https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker -* Singularity https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity +* Singularity: https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity The command -- GitLab