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import os, sys

# source
# http://stackoverflow.com/questions/298314/find-files-in-git-repo-over-x-megabytes-that-dont-exist-in-head

def getOutput(cmd):
    return os.popen(cmd).read()

if (len(sys.argv) <> 2):
    print "usage: %s size_in_bytes" % sys.argv[0]

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#!/usr/bin/env python

"""
Usage: ./run_sim.py <pdb> <cuda_device> <output_name>
"""

from __future__ import print_function
from simtk.openmm import app
import simtk.openmm as mm
from simtk import unit

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import tables
import numpy as np


class CheetahCXI(object):
    """
    A parser for the CXIdb files generated by cheetah at LCLS.
    """
    
    def __init__(self, filename):

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import h5py
import numpy as np
from scipy import fftpack
import matplotlib.pyplot as plt

from odin import xray


def PCA(A):

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#!/usr/bin/env bash

"""
Generates a selenomethionine (MSE) or telluromethionine (MTE) mutant.

usage: ./heavy_mutant <pdb>
"""

import sys

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#!/usr/bin/env python

import csv
import numpy as np

from openeye.oechem import *
from openeye.oemolprop import *
from openeye.oespicoli import *
from openeye.oeomega import *