I'll update the CCP4 version of the dictionary (ccp4/lib/data/cif_mm.dic). Thanks for the heads-up.
As you say, the workaround meanwhile is to edit the .cif file to remove/change any offending lines. Martyn On Wed, 2010-03-03 at 11:24 +0000, Thomas Womack wrote: > I notice that a fair number of PDB-deposited sets of structure factors > in sf.cif format (fourteen of them in the March 2 2010 release) > contain an _diffrn.detail line; this comes to my attention because > ccp4-6.1.2's cif2mtz falls over when it encounters such a line and I > have to edit the CIF manually to get it to continue. > > I have never observed this line to have a value other than '?'; is it > known what software produces sf.cif files with this meaningless and > problematic line in, and how to make it stop? > > http://mmcif.rcsb.org/dictionaries/mmcif_pdbx.dic/Categories/diffrn.html > > does not mention _diffrn.detail, although it offers an optional > _diffrn.details line, and one example where that was used to describe > a data-gathering protocol where exposure increased over time. > > Tom -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: martyn.w...@stfc.ac.uk * * Fax: +44 1925 603634 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
