def density_score_reader( silent_fn_list ):
'''
read into density score
'''
Dict = {}
for silent_fn in silent_fn_list:
stderr.write( "reading %s\n" % silent_fn )
fields_Dict = read_silent_header( silent_fn )
with open( silent_fn ) as file:
l = file.readline()
while l:
if l.startswith("SCORE:"):
ls = l.split()
try:
tag = ls[ fields_Dict["description"] ]
domain_id = tag.split(".")[2][:4] + tag.split(".")[2][-1]
placement = ls[ fields_Dict["description"] ]
density_score = float( ls[ fields_Dict["elec_dens_whole_structure_allatom"] ] )
rmsd = float( ls[ fields_Dict["after_no_super_rmsd"] ] )
if domain_id not in Dict.keys():
Dict[ domain_id ] = { placement : ( density_score, rmsd ) }
else:
Dict[ domain_id ][ placement ] = ( density_score, rmsd )
except IndexError:
stderr.write("WARNING: cannot split this line: %s" % l)
l = file.readline()
#stderr.write( "." )
stderr.write( "\ndone reading density table from %s\n" % silent_fn )
return Dict
#!/usr/bin/env python2.7
from rosetta_util import read_silent_header
from sys import argv
from os.path import exists
assert exists( argv[1] )
Dict = read_silent_header( argv[1] )
for tuple in sorted( Dict.items(), key=lambda value: value[1] ):
print "%2s %s" %( tuple[1]+1, tuple[0] )
from pprint import pprint
import operator
import math
from rosetta_util import read_silent_header
if __name__=="__main__":
parser = ArgumentParser()
parser.add_argument("-r", "--results_file", required=True, help="")
parser.add_argument("-s", "--silent_file", required=True, help="this is for getting header to figure out column")
parser.add_argument("-c", "--cluster_size_cut", type=int, default=2, help="")
parser.add_argument("-b", "--bucket_size", type=int, default=25, help="")
parser.add_argument("--random_fill", action="store_true", default=False, help="")
args = parser.parse_args()
score_Dict = {}
fields_Dict = read_silent_header( args.silent_file )
for line in popen("grep ^SCORE: %s" % args.silent_file, "r" ).readlines():
if "description" in line: continue
line_ed = line.split()
score = float( line_ed[ fields_Dict["elec_dens_whole_structure_allatom"] ] )
super_rmsd = float( line_ed[ fields_Dict["after_super_rmsd"] ] )
nosuper_rmsd = float( line_ed[ fields_Dict["after_no_super_rmsd"] ] )
tag = line_ed[ fields_Dict["description"] ]
score_Dict[ tag ] = ( score, nosuper_rmsd, super_rmsd )
#pprint( score_Dict )
Dict = {}
for line in open( args.results_file, "r" ).readlines():
if line.startswith("test_cluster:"):
