#!/bin/csh # # Rescore rotation function results from Molrep using 1BIK_on_1D0D_B.pdb. # beast HKLIN $CEXAM/toxd/toxd.mtz << eof LABIN F=FTOXD3 MOLECULE mol1 1.0 MODEL mol1 $CEXAM/data/1BIK_2_1D0D_B.pdb IDENT 0.377 SEARCH mol1 @$CEXAM/data/toxd.molrep_rf REPORT ALL END eof