Preparing CCP4 map files for O


Convert map file to O format:

First, you may want to fiddle the header of the map file a bit to adjust the origin and to adjust the range of densities.
Altering the origin is strictly optional, but the density range cannot be too high or mapman won't convert the file correctly.
 
 

  • alternxyzst   (will alter origin of file)
  • prodadd    (will scale the map densities, which is required if they are VERY large)
  • Now convert  the map file in 2 steps:
     
  • mrc2xplor

  •       ccp4file
          xplorfile.xpl
     
  • mapman6

  •     read xplorfile.xpl
                   xplorfile.xpl
                   x-plor
         brix
                   xplorfile.xpl
                   outfile.dn6
     
  • That's it!



  • Run O
     
    setenv ODAT /opt/xray/o/data
    copy access.o to working directory (contains cpu id's that are allowed to run O)
    /opt/xray/o/bin/sg_ono621
    ./access.o




    Display map in O
    map_file xxx.map
    map_obj xxx
    map_param
    map_draw


    Read in pdb file and display
    sam_atom_in        (read in pdb file)
    mol  1jud          (create molecular object called 1jud)
    centre_atom 1jud
    paint_zone 1jud  101 1515 green
    ca ; end


    Moving things around
    move_zone        (to move atomic coordinates by zone with updating coordinates)
    move_obj            (to move obj without updating coordinates, e.g., map)




    Making a sketch of pdb file
    sk_obj  name
    sk_type        (define type of sketch, e.g., cylinder)
    sk_add        (do it)
    sk_del?        (remove latest sk_add - like an undo command)




    Make Jane Richardson cartoon from pdb file
    read alpha.o
    read beta.o
    sketch_setup
        cartoon
    mol 1jud
    yasspa 1jud alpha 0.5
    yasspa 1jud beta 0.8
    sketch_auto
     


    OLD WAY to convert map file into O file - now OBSOLETE
    from imgplt:

    First, alter header parameters in CCP4 file

  • altercell
  • alternxyzst   (will alter origin of file)
  • prodadd    (will scale the map densities, which is required if they are VERY large)
  • Second, convert to dsn6 (O) format
    /public/bin5/4d_mappage  (as of 3/99, other versions of mappage and mapman do not work, most likely due to irregular header data in CCP4 file from imgplt)
    can specify prod/plus to obtain particular density range in O file, usually I specify "y" and 1.0 0.0 for prod, plus