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PDB-REDO accepts ARIA ids

15-Nov-2018

The PDB-REDO web server for crystallographic model optimisation now accepts ARIA userids, so Instruct members do not need to register to use it.

The server takes your current model (PDB), diffraction data (MTZ), and (optional) ligand restraints and it returns a new model, new maps, and many tools to continue working on your model.

PDB-REDO optimises refinement settings (e.g. geometric and B-factor restraint weights, B-factor model, TLS groups, NCS and homology restraints), refines with REFMAC, partially rebuilds the structure (rejects waters, rebuilds side chains, flips peptide planes), refines some more, and then extensively validates the results.

The connection to ARIA was supported by the West-Life H2020 grant.