#!/usr/bin/env python

# A python version of refmac5-simple.exam, using the CCP4Dispatchers

import os, sys
from CCP4Dispatchers import refmac5
from string import Template

d=refmac5.Dispatcher()

cmd = Template("HKLIN $CEXAM/rnase/rnase18.mtz " + \
               "HKLOUT $CCP4_SCR/rnase_simple_out.mtz " + \
               "XYZIN $CEXAM/rnase/rnase.pdb " + \
               "XYZOUT $CCP4_SCR/rnase_simple_out.pdb")
cmd = cmd.substitute(os.environ)
d.set_cmd_args(cmd)
d.set_keywords("""LABIN FP=FNAT SIGFP=SIGFNAT FREE=FreeR_flag
NCYC 10
END
""")
d.call()
for line in d.stdout_data: print line
sys.exit(d.call_val)