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#!/usr/bin/env python

import pandas as pd
import click
from Bio.Seq import Seq
from Bio.SeqRecord import SeqRecord
from Bio import SeqIO


@click.command()

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#!/bin/bash
TYPE=${TYPE:-prot}
[[ ! -z ${1} ]] && INFILE=${1} || exit 1
shift
makeblastdb -in ${INFILE} -dbtype ${TYPE} -parse_seqids ${@} -blastdb_version 5

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blastp -db fasta.fa -query database.fa \
    -outfmt "6 std stitle qcovs" -num_threads 10 -out out.blast

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# Functions for parallelizing things

def init_spark(nproc=-1, appname="sparksession"):
    """Function to start a Spark executor."""
    from pyspark.sql import SparkSession
    if nproc == -1:
        # Use all CUPs
        spark = SparkSession.builder.master(
                "local[*]").appName(appname).getOrCreate()
    else:

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# $Id: vim-keys.conf,v 1.2 2010-09-18 09:36:15 nicm Exp $
#
# vim-keys.conf, v1.2 2010/09/12
#
# By Daniel Thau.  Public domain.
#
# This configuration file binds many vi- and vim-like bindings to the
# appropriate tmux key bindings.  Note that for many key bindings there is no
# tmux analogue.  This is intended for tmux 1.3, which handles pane selection
# differently from the previous versions

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# Utility script for feature generation
# Md Mahmudulla Hassan
# The University of Texas at El Paso
# Last Modified: 12/19/2018

import os
from rdkit import Chem
from rdkit.Chem import AllChem
import tempfile
import shutil

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import xmltodict
import pandas as pd

with open("full_database.xml") as db:
    doc = xmltodict.parse(db.read())

values = []
for item in doc['drugbank']['drug']:
    logp = None
    try:

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