Mogul

🗓️ 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:

• How to run a geometry check in Mercury.
• How to launch Mogul from Mercury.
• How to interpret the results obtained.
• How to restrict the geometry check to a specific feature of a molecule loaded.

Materials:

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (just for reference).

Requirements:

• Feeling comfortable with basics of Mercury visualisation:
  • Navigating the Mercury interface.
  • Editing styles, and colours.
  • Displaying packing diagrams.

If not, consider reviewing our self-guided visualisation workshop before the event. 

• A current, valid CSD licence - CSD-Core or above.

FIMs & CSD-Material 

🗓️ 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:

• Learn how informatics and data-driven approaches can be used to understand the solid state.
• Familiarise yourself with what tools are available in the CSD-Materials suite and what they can be used to do.
• Learn how to use Full Interaction Maps to analyse a structure.

Materials:

• Exercise Handout: Download or print the handout before the day to follow during the "Try One" part of the session.
• Notes slides: Part of the "Show One" part of the session (just for reference)

Requirements:

• Feeling comfortable with basics of Mercury visualisation:
  • Navigating the Mercury interface.
  • Editing styles, and colours.
  • Displaying packing diagrams.
  • Displaying hydrogen bonds.

If not, consider reviewing our self-guided visualisation workshop before the event. 

• A current, valid CSD licence - CSD-Material or above.

Metal-organic

🗓️ 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:

• Learning more advanced searching options in ConQuest.
• Familiarising with using subsets in ConQuest.
• Learning how to export and analyse hitlists in Mercury. 

The workshop will focus on metal-organic structures, but is open to scientists interested to other structures in the CSD.

Materials:

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (just for reference).

Requirements:

• Feeling comfortable with basics of Mercury visualisation:
  
  • Navigating the Mercury interface.
  • Editing styles, and colours.
  • Displaying packing diagrams.

If not, consider reviewing our self-guided visualisation workshop before the event. 

• Feeling comfortable with the basics of searching in ConQuest:
  • Navigating the ConQuest interface, and in particular the Build Queries tab options.
  • Drawing substructures in the Draw window.

If not, consider reviewing our self-guided searching workshop before the event. 

• A current, valid CSD licence - CSD-Core or above.

Mercury Intermediate

📅 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.

Material

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (optional to download before the session).
• Explore More: Watch the short video.

CSD-CrossMiner

📅 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.

Material

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (optional to download before the session).

CSD-Python API

📅 21st April 2021

👩‍🏫 CSD-Python API

Material

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (optional to download before the session).
• Explore More: Download or print out the additional slides in the "Explore More" part.
  
  

Searching

📅10th November 2020

👩‍🏫CSD-Core

In this session you will learn the basics of searching the CSD and exploring CSD subsets using ConQuest.

Material

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (optional to download before the session).

Visualisation

📅17^th November 2020

👩‍🏫CSD-Core

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.

Material

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Part of the “Show One” part of the session (optional to download before the session).

Aromatics Analyser

📅24^th November 2020

👩‍🏫CSD-Materials

In this session you will learn to using the Aromatics Analyser feature in Mercury to explore the stability of a crystal.

Material

• Exercise Handout: Download or print the handout before the day to follow during the “Try One” part of the session.
• Notes Slides: Download or print the handout before the day to follow during the “Try One” part of the session.