> > My scripting is not great so I wondered if anyone could hep me with a short > script to recursively look for ‘refine.mtz’ within subdirectories from the > top-level ‘model-building’ directory and then run CAD to change the column > names from 2FOFCWT-iso-fill and PH2FOFCWT_iso-fill to 2FOFCWT_fill and > PH2FOFCWT_fill so PANDDA can ‘see’ the correct data columns > > NB: output .mtz name must still be ‘refine.mtz’ as PANDDA only checks the > top-level directory for each refinement and ‘pipedream.mtz’ symlinks pointing > to ‘pipedream/pipedreamDir/refine/refine.mtz’ are already in place. > > Full path: > > model_building/target_x####/pipedream/pipedreamDir/refine/refine.mtz
Not tested (it can be better to have a copy of the files before testing it): for f in model_building/target_x*/pipedream/pipedreamDir/refine/refine.mtz; do sed -i 's/2FOFCWT-iso-fill/2FOFCWT_fill /g' $f done The spaces after "_fill" are to preserve the length - the header records in mtz must have 80 characters. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
