The CCDC Virtual Workshops are a series of hands-on virtual workshops, where you will learn how to use different components of CCDC software.
These sessions are entry level for beginners of the CSD Software.
The format is “Show one, try one, explore more!”:
Find the resources and useful links below.
🗓️ 2 November - 10:00-11:45 (GMT)
👩🏫 Deposit your crystallographic data in the CSD
In this CCDC Virtual Workshop, we will guide you through the process to deposit your crystallographic data in the Cambridge Structural Database (CSD).
We will cover:
Which data and which data files you can submit to the CSD.
How you can enhance your deposited data.
What happens to your data after deposition and how you can manage them.
What the benefits of sharing your structural data with the community are.
🗓️ 9 November - 15:00-16.45 (GMT)
👩🏫 Learn the basics of Protein Ligand Docking using GOLD
In this CCDC Virtual Workshop, you will learn the basics of how to perform Protein Ligand Docking using GOLD.
We will cover:
The basics of GOLD and our Hermes interface.
How to run a standard protein ligand dock.
How to identify the correct binding modes reliably and with confidence.
The basics of how GOLD can be used in virtual screening and lead optimisation.
🗓️ 16 November - 12.30-14:15 (GMT)
👩🏫 Intermediate Mogul - More in-depth analysis of molecular geometries with industrial use-cases
In this CCDC Virtual Workshop, we will explore more tips and tricks to get more insights into your crystal structures using Mogul, the CSD Software tool for assessing molecular geometries versus the data in the Cambridge Structural Database (CSD).
In this intermediate level session we will cover:
Interpreting usual / unusual results given context.
Analysis and impact of specific groups.
How Mogul is used to assess new drugs in the pharmaceutical industry.
This workshop will predominantly focus on organic structures and examples will include drug molecules, but some of the tips and tricks will be relevant for other structures in the CSD too..
🗓️ 7th July - 10-11:30 am (BST)
👩🏫 How to analyse molecular geometry with Mogul
In this workshop you will explore how to use Mogul to assess the geometry of a molecule using the information in over 1.1 million structures in the CSD by learning:
🗓️ 14th July - 12:30-2 pm (BST)
👩🏫 How to analyse small molecules interactions with Full Interaction Maps
In this workshop you will explore tools from the CSD Software to assess structural stability, in particular studying intermolecular interactions for small molecules using Full Interaction Maps (FIMs). You will:
🗓️ 21st July - 3-4:30 pm (BST)
👩🏫 Expert tips for searching and analysing metal-organic structures using ConQuest and Mercury.
In this workshop you will explore more advanced tips and tricks to search and analyse metal-organic structures by:
The workshop will focus on metal-organic structures, but is open to scientists interested to other structures in the CSD.
📅 7th April 2021
👩🏫 Visualisation and Analysis in Mercury (Intermediate)
In this workshop you will learn how to use more advanced Mercury features and the functionalities from the Calculate and Display menus.
📅 14th April 2021
👩🏫 Pharmacophore Searching with CSD-CrossMiner
In this workshop you will learn about the CSD-CrossMiner interface and how to perform a pharmacophore search.
📅 21st April 2021
👩🏫 CSD-Python API
📅10th November 2020
In this session you will learn the basics of searching the CSD and exploring CSD subsets using ConQuest.
📅17th November 2020
In this session you will learn the basics of visualising structures using Mercury and of preparing publication-ready images, including our popular hints and tips.
📅24th November 2020
In this session you will learn to using the Aromatics Analyser feature in Mercury to explore the stability of a crystal.