Documentation and Resources

Introduction to Full Interaction Maps, Mogul Geometry Check, and Crystal Packing Feature Search

A self-guided workshop for some popular Mercury tools: Mogul, Full Interaction Maps and the Crystal Packing Feature Search.

Last Modified: 06/05/2020 PDF

Polymorph Risk Assessment (2020.3)

A self-guided workshop demonstrating how to utilize the CSD-Materials Hydrogen Bond Propensity tool (HBP) for polymorph risk assessment.

Last Modified: 06/05/2020 PDF

Mercury User Guide (2021.1)

Last Modified: 12/12/2019 PDF

Crystal Structure Exploration - I didn't know Mercury could do that!

Last Modified: 20/09/2019 PDF

Exploring Mercury

This presentation provides some tips and tricks about Mercury including some commonly overlooked features

Last Modified: 25/04/2019 PDF

Structure Visualisations (2020.3, Community)

A self-guided workshop demonstrating the use of Mercury to create quality graphics of your structures

Last Modified: 15/04/2019 PDF

CSD Release & Installation Notes (2019)

Last Modified: 22/11/2018 PDF

Guiding Crystal Habit Modification using Full Interaction Maps

Last Modified: 12/11/2014 PDF

Understanding Polymorph Stability using Full Interaction Maps

An application example illustrating how to use the Full Interaction Maps functionality in Mercury to gain a better understanding of relative stabilities of different crystal forms by assessing how satisfied the preferred intermolecular interactions are in the lattice.

Last Modified: 12/11/2014 PDF

Scaffold-hopping and fragment-linking using the Cambridge Structural Database

​In this study we illustrate use of the Cambridge Structural Database to provide ideas for novel scaffolds giving an active inhibitor of known binding mode. Also, we identify good linkers between two fragments binding in different parts of the active site.

Last Modified: 14/02/2012 PDF