It would be desirable to actually HAVE the cell information in the cif file,
if simply for assuring/checking consistency between model and data.....
Maybe something for the PDB to contemplate....
BR
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
[log in to unmask]
Sent: Thursday, May 17, 2012 12:16 PM
To: [log in to unmask]
Subject: Re: [ccp4bb] Covert Structure Factor to mtz
Reflection cif files from the PDB do not always have cell and symmetry
information in them, particularly the older ones, and it sounds like this is
your case.
In that case, you need to manually copy the cell information from the PDB
web page into the ccp4i interface before running.
HTH
Martyn
|