-
Notifications
You must be signed in to change notification settings - Fork 5
/
chimera.py
executable file
·42 lines (36 loc) · 1.04 KB
/
chimera.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
#!/usr/bin/env python3
import os
import sys
import random
import time
from random import seed, randint
import argparse
import platform
from datetime import datetime
import imp
from myPersonalFunctions import *
import glob
# Useful codes
# os.system("awk '{print $NF}' all_wham.dat > e_total")
# tr " " "\n"
# sed 1d
# sort -u -k 3
# sed -e 's/+T//'
# awk '$5=-$5' data
mypath = os.environ["PATH"]
os.environ["PATH"] = "/home/wl45/python/bin:/home/wl45/opt:" + mypath
my_env = os.environ.copy()
parser = argparse.ArgumentParser(description="This is my playground for current project")
parser.add_argument("-t", "--test", help="test ", action="store_true", default=False)
parser.add_argument("-d", "--debug", action="store_true", default=False)
args = parser.parse_args()
if(args.debug):
do = print
cd = print
else:
do = os.system
cd = os.chdir
if(args.test):
do("python3 ~/opt/small_script/pdb_split.py result_all_atm_lig")
do("cp ~/opt/plot_scripts/chimera.cmd .")
do("/Applications/Chimera.app/Contents/MacOS/chimera chimera.cmd")