When reading the documentation, you are likely to notice that some portions of the API are annotated as being available only to associated collaborators. These are parts of the API that are currently undergoing further development and external testing. These features will become more broadly available in future releases.

 

The three features that are currently available to associated collaborators only are listed in the following table:

Feature Version Added
Crystal Packing Similarity 0.7
Conformer Generator 0.5
Field-based Ligand Screener 0.6

 

If you are interested in contributing to the development of these features please contact support@ccdc.cam.ac.uk

I am very happy to declare that version 1.0 of the CSD Python API makes some of these aspects more widely available:

  • The Conformer Generator features are now available to all CSD-Materials, CSD-Discovery and CSD-Enterprise users.
  • The Crystal Packing Similarity feature is available to all CSD-Materials and CSD-Enterprise users.

A new docking module, based on the GOLD docking engine, is under development and is available to associated collaborators.

Further details can be found in the API user guide.

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