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"""
Summary extension
Print protein summary file.
Currently prints a list of all residue in protein.
"""
__date__ = "21 October 2011"
__author__ = "Kyle Monson"
import extensions
def usage():
"""
Returns usage text for summary.
"""
return 'Print protein summary information to {output-path}.summary.'
def create_summary_output(routines, outfile):
"""
Output the interaction energy between each possible residue pair.
"""
routines.write("Printing protein summary...\n")
output = extensions.extOutputHelper(routines, outfile)
output.write(routines.protein.getSummary() + '\n')
for residue in routines.protein.getResidues():
output.write(str(residue)+'\n')
def run_extension(routines, outroot, options):
outname = outroot + ".summary"
with open(outname, "w") as outfile:
create_summary_output(routines, outfile)
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