As part of the CSD 2016 Release, the CSD Python API is an integral component and this release marks its full official launch. The API has now reached the level of sophistication & stability required for fully supported use in both research and methods development.

The 1.0 release of the CSD Python API includes a number of significant improvements compared to earlier releases including:

  • Improved Apple OSX support
  • Support for the Anaconda Python distribution
  • Significant extension to the descriptors module (incl. molecular & geometric descriptors)
  • Additional search filtering options (matching desktop interfaces)
  • Functions to identify and assign chiral centres (R or S)
  • New conformer generation module (for CSD-Materials, CSD-Discovery & CSD-Enterprise users)
  • New crystal packing similarity class (for CSD-Materials & CSD-Enterprise users)

Please upgrade to the latest version now! We encourage your feedback as well as posting your scripts using the new functionality on this forum.

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