REFORIGIN (CCP4: Unsupported Program)
NAMEreforigin - apply best origin shift to PDB atom co-ords according to reference file
SYNOPSISreforigin XYZIN working.pdb XYZREF reference.pdb XYZOUT output.pdb [ SPACEGROUP <sg_name or sg_num> ] [ DMAX <dmax> ]
DESCRIPTION"reforigin" automatically re-origins (and changes the a.u. if necessary) a PDB dataset to a reference dataset (useful after MR when the model and target structures have the same space group and cell, or nearly the same cell). The required transformations are point-group dependent.
INPUT AND OUTPUT FILESThe following input and output files are used by the program:
OTHER INPUTNote that this input is currently set on the command line.
PROBLEMSThe program assumes the standard orthogonalisation convention.
pdbset - can apply arbitrary translations, see SHIFT keyword.
AUTHORSIan Tickle, Astex Technology