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On Tue, Jan 3, 2012 at 9:33 PM, Dialing Pretty
By the RCSB SF-Tool I have tried to convert my PDB file and the corresponding mtz file into mmCIF for the purpose of RCSB depositation, by the Automatic (default) mode. I got the following message:
"Converting structure factor to mmCIF format.... Error! No labels are written for MTZ to mmCIF conversion Structure factor conversion is done. Header of the mtz file can be seen from here Click here to see the converted mmCIF file"
Obviously there is an error message, although the conversion is succesful.
As for I intend to deposit the structure including the mmCIF file into RCSB, I am afraid I have lost some message in the MTZ file and mmCIF file.
Will you please tell me how can I add the labels, which have been lost I think, to the mtz file, so that the labels message will also be included into the mmCIF file if it was necessary?
I don't think it's possible to have an MTZ file without labels. This sounds like something you need to contact the RCSB about - we don't know anything about how SF-tool works. However, for future reference, could you please send me the output of this command? phenix.mtz.dump data.mtz (where data.mtz is replaced with the file you're trying to convert) thanks, Nat