It's quite a change compared to i1, but worth to learn it. On Wed, Mar 14, 2018 at 5:33 PM, Edward A. Berry <ber...@upstate.edu> wrote:
> Thanks, that seems to work also, and with lots of nice graphical analysis. > With Task "Import merged data", or all in one go with "convert intensities > to amplitudes" selecting the .cif file as input and option "output Imean > for anomalous data", to run ctruncate on the result. > > But I have a long way to go to get used to I2. It was disconcerting not > being able to set the output filenames, or even find the output files > except by listing files in the project directory. I guess it's a new > paradigm, where you don't need to worry about details like file names and > you identify datasets by internal labels within the gui. And going back to > the finished job, looking at input and options, there was very little > information about exactly what had been done (compared to the detailed > forms in ccp4i). But now I am motivated to learn the new system! > eab > > On 03/14/2018 06:42 AM, Eleanor Dodson wrote: > >> No problem with GUI2.. >> >> Eleanor >> >> On 13 March 2018 at 22:38, Edward A. Berry <ber...@upstate.edu <mailto: >> ber...@upstate.edu>> 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 <CCP4BB@JISCMAIL.AC.UK <mailto: >> CCP4BB@JISCMAIL.AC.UK>> on behalf of Edward A. Berry <ber...@upstate.edu >> <mailto:ber...@upstate.edu>> >> *Sent:* Tuesday, March 13, 2018 10:25:25 PM >> *To:* CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> >> *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 >> >> >>
