Watch the Webinar: Python Scripting for Molecular Docking

12/03 

Watch recordings of the Python Scripting for Molecular Docking

Visit PDB-101 to learn about Python Scripting for Molecular Docking.

The workshop is intended for:

• Undergraduate students in any STEM discipline
• Graduate students and postdoctoral researchers in life sciences and data collection
• Faculty members who want to incorporate Python scripting into their teaching or research
• Professionals involved in collecting and analyzing data, particularly big data

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

• Perform advanced searches of the RCSB Protein Data Bank with the rcsbsearchapi package
• Modify chemical structures with the rdkit library
• Dock ligands with enzymes, yielding visual and quantitative energy results

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New Features Index

• 12/17 Paper Published: ZMPY3D

• 12/03 Watch the Webinar: Python Scripting for Molecular Docking

• 11/27 wwPDB News: Access SDF/MOL formatted CCD files from the PDB archive

• 11/19 Paper Published: Using Augmented Reality

• 11/11 Developers: Switch to Sequence Coordinates Service by May 31, 2025

• 11/04 Take the Visualization User Survey and Win

• 10/31 wwPDB News: Deprecation of FTP File Download Protocol on November 1, 2024

• 10/29 wwPDB News: Poster Prize Awarded at The Protein Society

• 10/25 Register for Upcoming Training Events

• 10/22 wwPDB News: Poster Prize Awarded at LACA

• 10/16 wwPDB News: The Nobel Prize in Chemistry 2024

• 10/16 Register for the November 4 Mol* Virtual Office Hour

• 10/09 Register for the November 7 Virtual Office Hour on Supporting Extended PDB IDs

• 10/08 wwPDB News: Annotation of Protein Modifications in the PDB

• 09/29 Register Now for Webinar: Unlock Rapid Analyses Across the Whole PDB Using BinaryCIF

• 09/25 Register for the October 8 Advanced Search Office Hour

• 09/24 Announcement and FAQ: EDMAPS.rcsb.org Shutdown October 16

• 09/23 Applications Open for Director

• 09/21 Watch the Webinar: Teaching Enzymology

• 09/17 wwPDB News: Deprecation of FTP File Download Protocol on November 1, 2024

• 09/17 Deprecation of ligand model coordinates in MOL2/SDF format starting Dec 10

• 09/15 Celebrating National Postdoc Appreciation Week

• 08/26 Register for the Sept 18 Virtual Office Hour on Molecular Animations

• 08/21 Register for the Sept 12 Virtual Office Hour: Streamlining PDB Deposition

• 08/14 Register for the Sept 9 Mol* Virtual Office Hour

• 08/14 wwPDB News: PDB Archive Serves Structures Determined by Integrative and Hybrid Methods (IHM)

• 08/05 Join our DevOps Team at Rutgers

• 07/03 Meet the RCSB PDB at ISMB

• 06/28 Register for the July 9 Virtual Office Hour on APIs

• 06/25 Register Now for Webinar on Teaching Enzymology

• 06/18 Register Now for Crash Course: Python Scripting for Molecular Docking

• 06/11 Register for the July 9 Virtual Office Hour on APIs

• 06/04 Register for June 13 Virtual Office Hour: Generating DSN6 and MTZ Files

• 05/27 Notice: NGL Viewer Deprecation

• 05/14 Switch from MMTF to BCIF

• 05/09 Announcement: EDMAPS.rcsb.org Shutdown

• 05/01 Register Now for a Webinar on Understanding PDB Validation: Which experimental structures should I rely on?

• 04/30 wwPDB News: Coming soon: Annotation of Protein Modifications in the PDB

• 04/01 Register Now for a Virtual Deep Dive into Computed Structure Model Exploration at RCSB.org

• 03/31 Explore Mechanism and Catalytic Site Annotations

• 03/29 Take the EDMAPS.rcsb.org Survey

• 03/24 Register for the April 1 Mol* Virtual Office Hour

• 03/12 wwPDB News: Paper Published on CryoEM Archiving and Validation Recommendations

• 02/25 Register for the March 28 Office Hour to Ask A Biocurator

• 02/12 Use a Python Package to Access the RCSB PDB Search API

• 01/30 Notice: NGL Viewer Deprecation

• 01/24 Take the CSM User Survey and Win

• 01/18 Undergrads: Spend your summer with RCSB PDB

• 01/15 Switch from MMTF to BCIF

• 01/08 wwPDB News: Resources for Supporting the Extended PDB ID Format (pdb_00001abc)

• 01/07 Applications Open for Director

• 01/03 wwPDB News: Time-stamped Copies of PDB and EMDB Archives