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cif2mtz reads all the cif records. However, it doesn't read things like: #CRYST1 40.480 39.780 60.080 90.00 90.00 90.00 P 21 21 21 4 which occurs all too frequently. If some information is missing (really missing or fudged as above) then it needs to be supplied by keyword. BTW cif2mtz is interfaced in Reflection Data Utilities -> Convert to MTZ & Standardise and select mmCIF in the first pull-down menu. Cheers Martyn On Tue, 20 Dec 2005, Tim Gruene wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > In my experience it is worth checking the result, since cif2mtz does not > seem to read the text in the cif file. Sometimes it is easier to delete > all trailing non-hkl lines and use f2mtz instead. > > Tim > > -- > Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > > On Tue, 20 Dec 2005, Jawahar Swaminathan wrote: > > > *** For details on how to be removed from this list visit the *** > > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > > > Dear Florian, > > > > PDB structure factor files have the extension r1xxxsf.ent where 1xxx is > > the PDB idcode associated with the entry. The file is mmCIF format and > > can be converted to MTZ format by using the CCP4 program cif2mtz > > > > best regards, > > > > Jawahar Swaminathan > > PDB Depositions > > European Bioinformatics Institute > > > > Florian Br?ckner wrote: > > > > > *** For details on how to be removed from this list visit the *** > > > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > > > > > > Dear CCP4 community, > > > > > > does anyone know how the structure factor files from the PDB (.enf > > > format) can be converted into another format like MTZ (CCP4) or HKL > > > (CNS). Thank you very much in advance. > > > > > > Florian. > > > > > > > ************************************************************************** * * * Dr. Martyn Winn * * * * Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, ENGLAND * * Tel: +44 1925 603455 E-mail: [EMAIL PROTECTED] (personal) * * Fax: +44 1925 603825 E-mail: [EMAIL PROTECTED] (CCP4 problems) * * URL: http://www.ccp4.ac.uk/martyn/martyn.html * **************************************************************************
