News
November Workshops on Open-Source Tools for Chemistry
11/05
As part of their series of Workshops on Open-Source Tools for Chemistry, the Chemical Information and Computer Applications Group of the Royal Society of Chemistry will be hosting two free virtual events in honor of PDB50.
Protein Data Bank at 50: Accessing, Understanding, and Assessing PDB Data
Day 1: Tuesday November 16, 2021 | 3-5pm GMT
- History of the Protein Data Bank (PDB) and the Worldwide PDB, Stephen K. Burley, RCSB Protein Data Bank (RCSB PDB)
- PDBx/mmCIF Data Standard and PDB Data Deposition with OneDep, Ezra Peisach and Jasmine Young, RCSB PDB
- Small Molecules in the PDB, Chenghua Shao, RCSB PDB
- OneDep and Small Molecules Tutorial, Chenghua Shao and Ezra Peisach, RCSB PDB
Day 2: Thursday November 18 2021 3-5pm GMT
- wwPDB Validation: Assessing the Quality of PDB structures, John Berrisford, Protein Data Bank in Europe (PDBe)
- How to Interpret the Quality of a PDB Structure using the wwPDB validation report, David Armstrong, John Berrisford, Jack Turner, PDBe
- 3D Visualization of PDB Data with the Mol* viewer James Tolchard, PDBe
- Impact of AI and Future of PDB Data: Next Generation PDB Archive, Sameer Velankar (PDBe)
- Round Table Discussion, Sameer Velankar (PDBe) and Stephen K. Burley (RCSB PDB)
After these workshops, attendees should be able to:
- Access and appropriately use the wwPDB OneDep system for macromolecular structure depositions
- Understand how small molecule data in the PDB is organized and how to access it
- Evaluate the quality and accuracy of a PDB structure using the wwPDB validation report
- Understand how to use the Mol* molecular viewer to visualize PDB structures
- Appreciate wwPDB plans for establishing a Next Generation PDB Archive
Please register to attend these Open-Source Tools for Chemistry Workshops.
