From f7db4b88207c5813674008f8cab71943d0e8e3a5 Mon Sep 17 00:00:00 2001 From: Studer Gabriel <gabriel.studer@unibas.ch> Date: Tue, 18 Feb 2025 08:37:06 +0000 Subject: [PATCH] Edit README.md --- README.md | 43 +++++++++++++++++++++++++++++++++++++++++-- 1 file changed, 41 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 11a22915d..321401cfb 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,4 @@ -OpenStructure - A computational structural biology framework -============================================================ +# OpenStructure - A computational structural biology framework OpenStructure provides a modular, flexible, molecular modelling environment which allows to integrate, process and visualize information of different origin @@ -14,6 +13,46 @@ Please do not hesitate to contact us for feedback or troubleshooting: openstructure-users@maillist.unibas.ch + +## OpenStructure Installation + +OpenStructure is developed and tested across various Linux distributions. You can find detailed build instructions and a list of required dependencies here: +https://openstructure.org/docs/dev/install/ + +### Prefer Not to Compile it Yourself? + +For a simple and portable setup, we recommend using a containerized +solution. OpenStructure provides its own Docker container registry, +making deployment easier. + +### Containerized Solutions: + +* Docker: [OpenStructure Docker Instructions](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker) +* Singularity: [OpenStructure Singularity Instructions](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity) + +## Getting started + +The installation and container instructions will help you set up +OpenStructure for scripting. Additionally, here are some advanced +use cases worth highlighting. + +### Benchmarking and Scoring + +OpenStructure implements a benchmarking suite for comparing macromolecular +complexes. To get started, check out the examples in the `examples/scoring` +directory of this repository. + +### Modeling + +ProMod3 is a fully featured modeling engine built on top of OpenStructure. +It powers the SWISS-MODEL web server and provides advanced modeling +capabilities. Learn more here: + +[ProMod3 Documentation](https://openstructure.org/promod3) + + +## Cite Us + If you like our software and have used it in your research project, please cite the following paper on OpenStructure: -- GitLab