rhofit is a tool for fitting ligands into difference density. As well as being able to change bond lengths and angles within the ligand, it can rotate torsion angles, allowing it to search for correct ring conformations, including macrocycles, and to search for the correct chirality of an input ligand.


Page by Oliver Smart, Tom Womack and Andrew Sharff. Original version 5 November 2009, last modified 5 May 2014 Address problems, corrections and clarifications to buster-develop@globalphasing.com