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Bioinformatics with Python Cookbook

By : Tiago R Antao, Tiago Antao

4.7 (6)

Bioinformatics with Python Cookbook

4.7 (6)

By: Tiago R Antao, Tiago Antao

Overview of this book

If you have intermediate-level knowledge of Python and are well aware of the main research and vocabulary in your bioinformatics topic of interest, this book will help you develop your knowledge further.

Preface

Preface

What this book covers

What you need for this book

Who this book is for

Sections

Conventions

Reader feedback

Customer support

Free Chapter

1. Python and the Surrounding Software Ecology

1. Python and the Surrounding Software Ecology

Introduction

Installing the required software with Anaconda

Installing the required software with Docker

Interfacing with R via rpy2

Performing R magic with IPython

2. Next-generation Sequencing

2. Next-generation Sequencing

Introduction

Accessing GenBank and moving around NCBI databases

Performing basic sequence analysis

Working with modern sequence formats

Working with alignment data

Analyzing data in the variant call format

Studying genome accessibility and filtering SNP data

3. Working with Genomes

3. Working with Genomes

Introduction

Working with high-quality reference genomes

Dealing with low-quality genome references

Traversing genome annotations

Extracting genes from a reference using annotations

Finding orthologues with the Ensembl REST API

Retrieving gene ontology information from Ensembl

4. Population Genetics

4. Population Genetics

Introduction

Managing datasets with PLINK

Introducing the Genepop format

Exploring a dataset with Bio.PopGen

Computing F-statistics

Performing Principal Components Analysis

Investigating population structure with Admixture

5. Population Genetics Simulation

5. Population Genetics Simulation

Introduction

Introducing forward-time simulations

Simulating selection

Simulating population structure using island and stepping-stone models

Modeling complex demographic scenarios

Simulating the coalescent with Biopython and fastsimcoal

6. Phylogenetics

6. Phylogenetics

Introduction

Preparing the Ebola dataset

Aligning genetic and genomic data

Comparing sequences

Reconstructing phylogenetic trees

Playing recursively with trees

Visualizing phylogenetic data

7. Using the Protein Data Bank

7. Using the Protein Data Bank

Introduction

Finding a protein in multiple databases

Introducing Bio.PDB

Extracting more information from a PDB file

Computing molecular distances on a PDB file

Performing geometric operations

Implementing a basic PDB parser

Animating with PyMol

Parsing mmCIF files using Biopython

8. Other Topics in Bioinformatics

8. Other Topics in Bioinformatics

Introduction

Accessing the Global Biodiversity Information Facility

Geo-referencing GBIF datasets

Accessing molecular-interaction databases with PSIQUIC

Plotting protein interactions with Cytoscape the hard way

9. Python for Big Genomics Datasets

9. Python for Big Genomics Datasets

Introduction

Setting the stage for high-performance computing

Designing a poor human concurrent executor

Performing parallel computing with IPython

Computing the median in a large dataset

Optimizing code with Cython and Numba

Programming with laziness

Thinking with generators

Index

Index

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Computing molecular distances on a PDB file

Here, we will find atoms closer to three zincs on the 1TUP model. We will consider several distances to these zincs. We will take this opportunity to discuss the performance of algorithms.

Getting ready

You can find this content in the 06_Prot/Distance.ipynb notebook. Take a look at the Bio.PDB recipe.

How to do it...

Take a look at the following steps:

Let's load our model as follows:

from __future__ import print_function
from Bio import PDB
repository = PDB.PDBList()
parser = PDB.PDBParser()
repository.retrieve_pdb_file('1TUP', pdir='.')
p53_1tup = parser.get_structure('P 53', 'pdb1tup.ent')

We will now get our zincs against which we perform later comparisons:

zns = []
for atom in p53_1tup.get_atoms():
    if atom.element == 'ZN':
        zns.append(atom)
for zn in zns:
        print(zn, zn.coord)

You should see three zinc atoms.

Then, let's define a function to get the distance between one atom and a set of other atoms as follows:
```
import math
def get_closest_atoms...
```

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