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No problem with GUI2.. Eleanor On 13 March 2018 at 22:38, Edward A. Berry <[log in to unmask]> wrote: > Thanks- that works! > pdb-redo/tools/cif2cif in.cif out.cif > eab > > > On 03/13/2018 05:47 PM, Robbie Joosten wrote: > >> Hi Ed, >> >> The pdb-redo program cif2cif does that. I implemented this feature >> because there was no obvious CCP4 program that did this. You have to have >> your data in mmCIF format though. >> >> Cheers, >> >> Robbie >> >> Sent from my Windows 10 phone >> >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------------------------------------ >> ------------------------------ >> *From:* CCP4 bulletin board <[log in to unmask]> on behalf of Edward >> A. Berry <[log in to unmask]> >> *Sent:* Tuesday, March 13, 2018 10:25:25 PM >> *To:* [log in to unmask] >> *Subject:* [ccp4bb] How to get Imean/SIGImean from separated anomalous >> data? >> >> I want to work with an mmcif file that has I+,sigI+,I-,SigI-; >> in different columns for each reflection (no Imean). >> cif2mtz gives those same columns in the output mtz, with or without >> ANOMALOUS keyword. >> cif2mtz and truncate seem to need the anomalous data as separate >> reflections hkl and -h-k-l in order to calculate Imean or Fmean. What is >> the best way to do this? >> Thanks, >> eab >> >