diff --git a/README.md b/README.md index 0e9a08d58bbe1c2ac929dc1828c4ab5ef8cd6b2f..59b32682db02d1da71cb6c5e8f88db34a0d72b42 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,13 @@ # promod3_pipeline_benchmark -Benchmark pipelines for the ProMod3 modelling engine \ No newline at end of file +This repository contains code and data to reproduce the figures and tables +from the benchmarking efforts in the manuscript: +"ProMod3 - A versatile homology modelling toolbox". + +The *modelling*, *loop*, *sidechain* and *other* directories contain detailed +instructions on how to reproduce the numbers and figures. + +You need an OpenStructure and ProMod3 installation to run the scripts, +more specifically you need the *ost* and *pm* executables in your path. +Furthermore you need the numpy, scipy and matplotlib Python modules. +