Hi Simon You can use the PDB tools (pdb_extract: http://pdb-extract.rcsb.org/) for deposition. pdb_extract can convert any structure factor formats to mmcif. Also the program sf_convert (http://sw-tools.pdb.org/apps/SF-CONVERT/doc/V1-0-00/documentation.html) also serve the purpose. Huanwang Simon Kolstoe wrote:
Is there a simple way of creating an mmCIF formatted structure factor file for pdb deposition from the outputs of a phenix.refine run?
Thanks,
Simon
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