FAQ: rhofit has found the correct site to fit but the ligand has not been fitted correctly

Things to check:

  1. is the cluster file used in the fit sensible? Does it cover all the difference density? These easiest way to check this is to use the visualise-rhofit-coot visualiser and click on the "Cluster visible" tick box. If the cluster does not cover all the difference density then it might be worthwhile manually producing cluster files.
  2. could the bad fit be caused by a poor ligand dictionary?
EditTNT best.dic best.pdb
  1. If it still doesn't work, please let us know, giving all the details you're allowed of the input PDB, MTZ file, and ligand.

Page by Oliver Smart original version 1 April 2010. Address problems, corrections and clarifications to buster-develop@globalphasing.com