#!/bin/sh

set -e

# Example of refinement of twinned data by Refmac.
# 1rxf artificial data, pdb uses random offsets.
# Uses intensity likelihood function.

refmac5 \
XYZIN $CEXAM/data/1rxf_randomise.pdb \
HKLIN $CEXAM/data/1rxf.mtz \
XYZOUT $CCP4_SCR/1rxf_out.pdb \
HKLOUT $CCP4_SCR/1rxf_out.mtz << eof
TWIN
MAKE HYDR NO
LABIN IP=I SIGIP=SIGI FREE=FreeR_flag
LABOUT FC=FC PHIC=PHIC
eof