Ribbons --- ONO! Conversion of O data into *.ss format. The associated O programs to determine real-space fit, to check carbonyl direction, and to check side chain rotamers are run and the ascii output saved. The output should be edited to contain 3 "title" lines, followed by the data for each residue in a chain. See the "*.com" files to do this on a VAX. These files are then processed to determine statistics and to assign a letter grade to each residue. The results should be pasted on to an existing *.ss file for color-coding by ribbons. Example output files from O: O-program output-file --------- ------------- O_rsf O_rsr_all.list O_rsf O_rsr_mc.list O_Pep_Flip O_pep_flip.list O_rsc O_chi.biglist (O_chi.list) The file O_chi.list was produced as follows: awk -f reduce-chi.awk < O_chi.biglist > O_chi.list These files are the first 10 residues from a protein. Creation of the individual property/assignment files: awk -f O_rsfit.awk < O_rsr_all.list > rsr_all.s awk -f O_rsfit.awk < O_rsr_mc.list > rsr_mc.s awk -f O_pepflip.awk < O_pep_flip.list > pep_flip.s awk -f O_chi.awk < O_chi.list > chi.s The rsr files were edited to give unique names (ie, changed default 'Orsr' to 'Oall' and 'Omc'). Creation of an *.ss file: paste pro-orig.ss *.s > pro-new.ss The file pro-orig.ss was made with the standard ribbon utilities pdb-pro-ss followed by pdb-rama-ss. The new file was edited, throwing away all the statistics from the title line. All at once: O-rsr-ss protein.ss O_rsr.list O-pep-ss protein.ss O_pep_flip.list O-chi-ss protein.ss O_chi.list The scripts above have been placed in the ~ribbons/bin directory that do the two steps above, adding the column of O information to the existing *.ss file. Color-coding: The assigned grade is 'A' thru 'F'. The file 'O.color' gives a mapping of cold thru hot.