#!/bin/csh # # Refine orientation and translation. # beast HKLIN $CEXAM/toxd/toxd.mtz << eof LABIN F=FTOXD3 MOLECULE mol1 1.0 MODEL mol1 $CEXAM/data/1D0D_B.pdb IDENT 0.364 MODEL mol1 $CEXAM/data/1BIK_2_1D0D_B.pdb IDENT 0.377 SEARCH mol1 ROTATE AROUND 143.75 21.02 200.76 1.0 0.3 \ TRANSLATE AROUND 0.3789 0.2222 0.4427 0.4 0.1 BEST 20 0 END eof