[phenixbb] an error in the operation of SF-Tool

Nathaniel Echols nechols at lbl.gov
Wed Jan 4 10:17:25 PST 2012

On Tue, Jan 3, 2012 at 9:33 PM, Dialing Pretty <hdc123hdc123 at yahoo.com> wrote:
> 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)


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