def main():
null = open(os.devnull, 'w')
# sys.stderr = null
"""
"""
res_neighbors = []
for pdb_f in lt.files_in_dir(sys.argv[-1]):
f_path, f_name = os.path.split(pdb_f)
f_name, f_exten = os.path.splitext(f_name)
if f_exten == '.pdb':
pdb_id = f_name
res_neighbors.extend(pdb_neighbors(pdb_f, pdb_id))
write_result(res_neighbors, file_suffix='original')
sta = [len(v) for k, v in res_neighbors.iteritems()]
sta = lt.lis_sta(sta)
with lt.open_file('phos_neighbors_num') as w_f:
for k, v in sta.items():
print >> '{0:<10}{1:<10}'.format(k, v)
def main():
null = open(os.devnull, 'w')
sys.stderr = null
dist = []
for pdb_f in lt.files_in_dir(sys.argv[-1]):
pdb_id = pdb_f[-8:-4]
p_dist = pdb_dist(pdb_f, pdb_id)
dist += p_dist
def myround(n):
n = np.round(n, 1)
a, b = str(n).split('.')
n = a + '.' + b[0]
return float(n)
dist = sorted(dist)
dist = [myround(d) for d in dist]
dist = [d for d in dist if d < 10.0]
sta = lt.lis_sta(dist)
with lt.open_file(file_suffix='dist_sta') as w_f:
for num, freq in sta:
print >> w_f, '{0:<10}{1}'.format(num, freq)
#!/usr/bin/env python
# -*- coding: utf-8 -*-
"""
calculate statistics for WDSP output file
usage: python wdsp_sta.py wdsp_f
"""
import lt
import sys
import os
from wdsp import Wdsp
with open(sys.argv[-1]) as o_f:
wdsp = Wdsp(o_f)
scores_sta = lt.lis_sta(wdsp.scores.values())
with lt.open_file(file_suffix='total_score_sta') as w_f:
for num, freq in scores_sta:
print >> w_f, '{0:<10}{1}'.format(num, freq)
tetrad_sta = [
len([vi for vi in v if vi >= 44.0])
for k, v in wdsp.blade_scores.iteritems()
]
tetrad_sta = lt.lis_sta(tetrad_sta)
with lt.open_file(file_suffix='tetrad_num_sta') as w_f:
for num, freq in tetrad_sta:
print >> w_f, '{0:<5}{1}'.format(num, freq)
blades_sta = [len(blades) for pro, blades in wdsp.blades.iteritems()]
blades_sta = lt.lis_sta(blades_sta)