Mercury

View, analyse and truly understand molecular structures and their properties with Mercury.

See chemistry in 3D and generate high-definition, customized images, animations and 3D models of molecules. Analyse chemical and physical properties with informatics-based insights drawn from empirical data in the Cambridge Structural Database (CSD).


Iron-molybdenum inorganic ring

Refcode ASETEZ - Iron-molybdenum inorganic ring (shown with orange and blue polyhedra, respectively)

polymorph of a copper imidazolate framework

Refcode CUIMDZ01, a polymorph of a copper imidazolate framework (often called a 'ZIF' that shows the copper polyhedra and channel structure of the void space


Features

Interactive visualization

Explore your structure your way - follow unit contacts, grow the view in any direction, or examine the unit cell. Customize the display and annotations to show what matters to you.


Comprehensive range of visualization options

Communicate your work effectively to others with clear visuals — choose from pre-build styles, or create your own. Generate high-resolution images of molecular structures for publication, or go further with animations and 3D print files.


Customize to display specific features

Show ellipsoids, polyhedra, packing diagrams, Miller planes, voids, BFDH morphologies and more to illustrate the features important to you.


Display hydrogen bond contacts

Customize the contacts and grow your structure in any specific direction, to explore the solid form and understand its physical properties.


Access advanced analysis tools

Perform your analyses in the Mercury interface, with a host of analytical tools from CSD-Discovery and CSD-Materials built in.

(See the full range of tools available for academics in our free or paid versions, and for commercial users in different packages)


Explore published or proprietary structures

Apply al these features to published or new structures — Mercury can open common file formats including .cif .mol .mol2 .pdb .aux and more.

 


Learn more

 

Video playlist: Mercury how-to tutorial videos

Free online course: Visualization 101: visualizing structural chemistry data with Mercury

PDF self-guided workshops


FAQs

 

What's the difference between the free and paid version of Mercury?

  • The free version of Mercury available in CSD-Community is suited for generating basic images of molecular structures in non-commercial research. The full licence version of Mercury can be used in all research and gives more functions like molecule and structure editing, displaying voids and hydrogen-bond graph sets, plotting, charting and reporting structural data, analysing conformations, bond lengths, valence angles and ligand-based drug discovery features.
  • See a detailed comparison of free Mercury vs full licence Mercury for academics here in our free or paid versions, and for commercial users here in different packages.

 

Can I view my own structures not in the CSD?

 

What are the system requirements to install Mercury?

 

Can I access CSD-Discovery and CSD-Materials tools from Mercury?

  • Yes — if you have a suitable licence (including academic licences) analytical tools within CSD-Discovery and CSD-Materials are accessible in Mercury.

 

How should I reference images built with Mercury?

 

Can I just install Mercury?

  • For the free CSD-Community version you can install Mercury alone. For the full version you must install the CSD data as well, since the analysis functions draw on the empirical data in the CSD.

 

Can I view multiple structures simultaneously in Mercury?

  • Yes — you can load, edit and interact with multiple structures independently in the same window, to compare and contrast structures. (Up to around 100)

 

What file formats can I export from Mercury?


Can't find what you need? Email us here — we're happy to help.