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PDB and Data Archiving Curriculum

Python Scripting for Biochemistry & Molecular Biology | Part 2

Virtual Crash Course | April 20, 2023

This is the second part of the IQB Crash Course designed to introduce life scientists to the power and flexibility of solving problems with Python. This course offers a brief review of Python and the Jupyter Notebook environment first, later diving into working with Python libraries and various types of data.

After watching the videos featured in this course, you will be able to:

  • Extract data and build dataframes using the Pandas library
  • Perform curve fitting with enzyme kinetics data
  • Extract data from mmCIF files (the native Protein Data Bank data file format) using the Biopython library
  • Extract data from mmCIF files using the RCSB PDB API

Additional materials for this course are available:

Click on the image below to play the video.

Part 2 Introduction

Stephen K. Burley

Director, RCSB Protein Data Bank

Python Primer: Review of Python and the Jupyter Notebook environment

Jessica A. Nash

Software Scientist, Molecular Sciences Software Institute (MolSSI)

Nonlinear regression: Creating the Pandas DataFrame

Paul A. Craig

Professor of Biochemistry, Rochester Institute of Technology (RIT)

Nonlinear regression: Curve fitting

Paul A. Craig

RIT

Extracting data from mmCIF files using the Biopython library

Jessica A. Nash

MolSSI

Extracting data from mmCIF files using the RCSB PDB API

Jessica A. Nash

MolSSI