Ian Bruno

The Cambridge Structural Database

The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures. The database has been in operati...

New software for searching the Cambridge Structural Database and visualizing crystal structures

Two new programs have been developed for searching the Cambridge Structural Database (CSD) and visualizing database entries: ConQuest and Mercury . The former is a new search in...

Retrieval of Crystallographically-Derived Molecular Geometry Information

The crystallographically determined bond length, valence angle, and torsion angle information in the Cambridge Structural Database (CSD) has many uses. However, accessing it by ...

IsoStar: A library of information about nonbonded interactions

A crystallographic perspective on sharing data and knowledge

Deducing chemical structure from crystallographically determined atomic coordinates

An improved algorithm has been developed for assigning chemical structures to incoming entries to the Cambridge Structural Database, using only the information available in the ...

<i>Mercury CSD 2.0</i>– new features for the visualization and investigation of crystal structures

The program Mercury , developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has...