CCP4i Reflection DataUtilities: Convert to/modify/extend MTZ does not work

From: Dialing Pretty
Date: 29 February 2012 01:58

Dear All,

I want to use "CCP4i Reflection DataUtilities: Convert to/modify/extend MTZ" to change a RCSB mmCIF file into MTZ file.

It shows there are a lot of data name (related to _pdbx_.or something else) not present in dictionary, and shows CCP4I termination status 0 "child process excited anormally".

I am looking forward to getting a reply from you on how to solve the problem.

Cheers,

Dialing

 

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From: Jayashankar

I face exactly the same problem. any advice in this regard would be greatful.


S.Jayashankar 

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From: Martyn Winn


If you send me the PDB id that you are trying to convert, I can
investigate.

This issue has come up a few times recently on the BB - you can also try
searching the archives for advice.

The version of cif2mtz + dictionary in the forthcoming 6.3 should cope
with a wider range of cif files.

Cheers
Martyn

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From: Dialing Pretty

I just have it successfully done: 

Import reflection file in mmCIF format and create MTZ file

In 1w2i-sf.cif

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From: Martyn Winn


Yep, works for me too.

1w2i-sf.cif contains no pdbx entries. Did you perhaps first download the
mmcif format coordinate file?

On the RCSB site, the "mmCIF File" are coordinates, and "Structure
Factor (text)" are reflections in mmCIF format.

Cheers
Martyn