geostd

geostd is an open-source set of restraints for molecules involved in macromolecular structure refinement. The restraints reduce the number of variables making the solution of protein structures a more tractable process.

This repository also includes Amber force field files (*.mol2, *.frcmod) for most of the ligands. These were created using AmberTools24/antechamber, with the gaff2 and ABCG2 options.

For more details, please visit https://www.biorxiv.org/content/10.1101/2025.08.01.668229

(This repository replaces an earlier SourceForge instance.)