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Is this a good time to mention the MTZ2CIF program? It's intended to replace the OUTPUT CIF option of the CCP4 MTZ2VARIOUS. It will convert intensities, structure factors, phases etc from MTZ to CIF format using the PDBX tokens from the PDB exchange dictionary. There is also a capability to output multiple datasets into a single CIF (something that MTZ2VARIOUS is not able to do). You can see documentation here: ftp://ftp.ccp4.ac.uk/pjx/ccp4/mtz2cif-0.7.html and the source code (with a Makefile that is suitable for Linux platforms) is available here: ftp://ftp.ccp4.ac.uk/pjx/ccp4/mtz2cif-0.7.tar.gz It's not in the current CCP4 release but will be included in future. All feedback is welcome. Best wishes Peter Frank von Delft wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > >> Behalf Of Eleanor Dodson >> Sent: 18 December 2006 09:33 >> >> I am afraid it depends on the community to do the policing - >> you need to be ready to "name and shame" to relevent bodies - >> even public requests to tthe BB can sometimes stimulate release! >> >> Structure factors not being deposited is more to do with >> ignorance or laziness I think - maybe the deposition centres >> should contact any author who deposits coordinates and not >> SFs offering help? > > I suggest both ignorance and laziness are best addressed by *working* cif > generation tools -- preferably at deposition time. (See earlier post of > mis-interpretation of columns.) > > Mitch described how the JCSG has figured out the format; what he did not > add that it is a bloody nightmare to generate, unless you've written the > scripts (which JCSG has). > > phx. > -- ___________________________________________________ Peter J Briggs, [EMAIL PROTECTED] Tel: +44 1925 603826 CCP4, [EMAIL PROTECTED] Fax: +44 1925 603825 http://www.ccp4.ac.uk/ Daresbury Laboratory, Daresbury, Warrington WA4 4AD
