a question related to SF-tool

From: Dialing Pretty
Date: 3 January 2012 13:29

Dear All,

 

I am trying to convert a PDB and the corresponding mtz file to the mmcif file, and 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 ".

 

Will you please tell me how to solve the problem "Error! No labels are written for MTZ to mmCIF conversion Structure factor conversion is done"?

 

Cheers,

 

Dialing

----------
From: Eleanor Dodson


You may need to assign the labels - are you using the GUI? You get asked to name output columns for FP Fc etc.

Eleanor

----------
From: Huanwang Yang


Dear Dialing

It looks like that the conversion using the 'auto mode'  is successful. The error message might come from the multiple 'Associated datasets '.  If no amplitude or intensity are not found in the dataset, an error message will be shown.

For a safe conversion, please always use the 'Semi-automatic MTZ conversion to mmCIF', instead of the 'auto mode'.

Best regards,
Huanwang


Dialing Pretty wrote:

 *"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 <http://sf-tool.rcsb.org/users_data/dir_14250/mtzdmp_new.log>
*Click here to see the converted mmCIF file <http://sf-tool.rcsb.org/users_data/dir_14250/sf_14250.inp.mmCIF>*".