The 2020.0 CSD Release includes the new and improved CSD Python API version 3.0.0. The CSD Python API is now, for the first time, provided for Python 3.7 by default. As with the 2019 CSD Release versions, this version can be used from the command line, or within Mercury & Hermes with no additional installation steps required. 

New features added since the last version include:

  • The CSD Python API being Python 3 enabled by default
  • A new 'ccdc.utility.ApplicationInterface' class to make interfacing with 3rd-party applications easier
  • A new 'ccdc.utility.HTMLReport' class for simplifying HTML reports for Mercury and Hermes scripts
  • New methods for the 'ccdc.search.SubstructureSearch.SubstructureHit' class to allow inspection of measurements, constraints and geometric objects
  • A new 'ccdc.cavity.Cavity.write' method which will write a Hermes-compatible rlbcoor file from a cavity if the cavity has been read from a PDB file
  • A new 'ccdc.protein.Protein.known_cofactor_codes' method that provides a list of co-factor 3-letter codes that are recognised by the CSD Python API

To obtain links for the standalone pip and conda packages for this version of the CSD Python API, please visit https://www.ccdc.cam.ac.uk/support-and-resources/csdsdownloads/

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