[ccp4bb] a question related to SF-tool

2012-01-03 Thread Dialing Pretty 
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

Re: [ccp4bb] a question related to SF-tool

2012-01-03 Thread 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


On 01/03/2012 01:29 PM, Dialing Pretty wrote:

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

Re: [ccp4bb] a question related to SF-tool

2012-01-03 Thread 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:

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 
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*.
 
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