The RCSB PDB frequently offers training-events that explain and demonstrate more advanced or automated approaches to utilizing PDB resources. We believe these resources will provide you with tools to improve your research, teaching and overall productivity as explore macromolecular structures. All materials in this repository are open source.
| Workshop | Dates | Link to Resources | Skill Level |
|---|---|---|---|
| Python Scripting for Molecular Docking | July 18, 2024 | Workshop materials, Course description | Introductory |
| Understanding PDB Validation: Which experimental structures should I rely on? | May 14, 2024 | https://pdb101.rcsb.org/train/training-events/validation | Introductory |
| A Deep Dive into Computed Structure Model Exploration at RCSB.org | April 30, 2024 | https://pdb101.rcsb.org/train/training-events/csm2 | Introductory |
| Leveraging RCSB PDB APIs for Bioinformatics Analyses and Machine Learning | October 12, 2023 | Workshop materials, PDB-101 | Scripting |
The full list of training events can be found here: https://pdb101.rcsb.org/train/training-events
In addition to resources and materials referenced in RCSB PDB training events (training-events), this repository contains a collection of example files describing various use cases of RCSB.org services (example-use-cases).
| Title | Application | Skill Level |
|---|---|---|
| fetch_chemical_descriptors.ipynb, fetch_chemical_descriptors.py | Python script to fetch all chemical component IDs and then fetch the SMILES, InChI, etc. strings associated with them | Scripting |
Different workshops and use cases require different skills. The skill levels listed above are suggestions for the background needed to effectively use the resources.
- Novice. Users who have just begun visiting the RCSB PDB website. Before proceeding further, please consider reviewing some of the PDB 101 Training Resources.
- Introductory. Suitable for frequent RCSB PDB visitors who are comfortable with basic search, download and visualization.
- Scripting. Suitable to RCSB PDB users who are comfortable modifying, cutting and pasting existing Python code.
- Coding. Suitable to RCSB PDB users who are comfortable creating code and identifying and implementing new Python libraries.
We could provide links here for specific PDB-101 resources and for YouTube training on Python.