$!   Program to change coordinate formats.
$!   PDBSET does some of these functions.
$!   Takes PDB to fractional - often useful for heavy atom coordinates.
$!    Adds CRYSTAL and SCALEi cards for various NCODEs to PDB.
$!    SHELX to PDB - XPLOR to/from PDB etc....
$!
$!  Add CRYSTL and SCALEi cards to a PDB filewhere they are missing.
$!
$ass/user CCP4_SCR:toxd_orth1.pdb xyzout
$ass/user ccp4_master:[ccp4.examples.toxd]toxd.pdb  xyzin
$coordconv 
INPUT PDB ORTH 1 
OUTPUT PDB ORTH 1
CELL  73.58   38.73   23.19   90.00   90.00   90.00
END
$!
$!  Output fractional coordinates.
$!
$ass/user CCP4_SCR:toxd.frc xyzout
$ass/user ccp4_master:[ccp4.examples.toxd]toxd.pdb xyzin
$coordconv 
INPUT PDB 
OUTPUT FRAC
END
$!
$!
$coordconv XYZIN CCP4_SCR:toxd.frc XYZOUT CCP4_SCR:toxd.pdb 
INPUT FRAC 
OUTPUT PDB ORTH 1
CELL  73.58   38.73   23.19   90.00   90.00   90.00
END
$!
$coordconv XYZIN CCP4_SCR:toxd.frc XYZOUT CCP4_SCR:toxd.xplor
INPUT FRAC 
OUTPUT XPL
CELL  73.58   38.73   23.19   90.00   90.00   90.00
END