The PDB provides structure factors as .sf.cif files, whilst autoBUSTER requires .mtz files.

The script will (assuming that you have the CCP4 tools on your path - it needs cif2mtz, truncate and scala to be able to produce MTZ files which autoBUSTER can use when the sf.cif files contain Friedel pairs) collect a PDB file from the server with a simple

perl 3ckm

producing a directory 3ckm containing 3ckm.pdb and 3ckm.mtz. It has been developed over a number of years to cope with some of the many idiosyncrasies in PDB structure factor depositions; if it fails, this will often be because there's something seriously wrong with the deposition.

Page by Tom Womack 20 July 2010. Address problems, corrections and clarifications