FragMAX support typically ends after hit identification. We are happy to provide feedback on PanDDA/ VALDO results, discuss their interpretation, and advise on PDB deposition. Final model building, ligand fitting and refinement, however, needs to be carried out by users.
Results can be reviewed on the MAX IV computing cluster via ThinLinc, although we generally recommend transferring the data back to your home institution for model building and refinement. Data transfer is possible via SFTP or Globus. To support downstream analysis, we provide simple COOT plugins (available via GitHub) that facilitate inspection and modelling of both standard 2Fo–Fc maps and PanDDA event maps.
COOT plugin for modelling of PanDDA event maps. The plugin is a single python file and works on windows, linux and mac: https://github.com/tkrojer/pandda_inspect_tools