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).





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

Included in
  • CSD-Core
  • CSD-Discovery
  • CSD-Enterprise
  • CSD-Materials
  • CSD-Particle
  • CSD-Theory
  • Academic Research
  • Agrochemical
  • Crystallography
  • Pharmaceutical Software
Use Cases
  • Develop New Materials
  • Discover New Molecules
  • End-to-End Molecular Design
  • Search Known Small Molecules
  • Understand Particle Behaviour


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.

Mercury is designed to work with most common crystal structure and 3D molecule files including .mol, .mol2, .pdb, .ent, .cif and more.

See the full and current list of supported file types here.