Collaborative Science

Accelerating time to market and driving innovation with collaboration, knowledge based understanding and prediction.


Access tools such as CNX and XPROLIG atom typing engine to assist in the interpretation of complex data that result from X-ray experiments. In addition to building and refining structural models of protein-ligand complexes, Discovery Studio can generate and visualize electron density maps, as well as perform X-ray structure refinement tasks, and automatically fit ligands into available density.

  • Access new collection of protocols for building and refining molecular structure models from X-ray crystallographic data
  • Access the CNX, popular X-ray refinement program, as standalone application or as component collection
  • Generate electron density maps for crystal structures in CNX/CNS format
  • Detect water molecules in an electron density map of a fully or partially refined protein structure, and add them to the initial structure
  • Generate an electron density map and use this map to automatically place one or more ligands into non-occupied X-ray electron density with real-space refinement of the ligand into electron density
  • Perform full refinement of a crystal structure with a single workflow, enabling rigid-body minimization, simulated annealing, coordinate minimization, occupancy minimization, or B-factor minimization
  • Use HT-X PIPE to run an automated high throughput structure determination of protein-ligand complexes
  • Validate your crystal structure using various test criteria

Read the Discovery Studio X-ray Datasheet