#!/bin/sh set -e if test ! -x ${CBIN}/refmac5; then echo '! refmac5 not found in $CBIN' exit 0 fi if test ! -f $CCP4_SCR/rnase_out.tls; then echo "! run the refmac5_tls.exam procedure first" 1>&2 exit 1 fi # Analyse TLS parameters from previous fitting procedure. tlsanl xyzin $CCP4_SCR/rnase_out.pdb tlsin $CCP4_SCR/rnase_out.tls \ xyzout $CCP4_SCR/rnase_tlsanl.pdb <> $CCP4_SCR/sample_results echo " *** tlsanl.exam *** " >> $CCP4_SCR/sample_results echo " " >> $CCP4_SCR/sample_results grep "A 1 " $CCP4_SCR/rnase_tlsanl.pdb >> $CCP4_SCR/sample_results