diff --git a/examples/scoring/README.md b/examples/scoring/README.md index 3e79b4d0af206e5a9c0f04c8da2476504e825bba..a936810d5348d4b44953d9bbe5f011912e1e5b3f 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