Spruce TK 0.9.1

New features

Note

Spruce TK now requires a specific license. For information on Spruce TK licensing, please contact sales@eyesopen.com.

API changes

  • The constructor of the OEStructuralSuperposition class has been changed.
  • The low-level OEExtractBioUnitsFromRef and OEExtractBioUnitsFromPDBRemarks functions have been removed.

Major bug fixes

  • A bug that caused an issue with extracting biological assemblies has been fixed in the low-level biological assembly factory class.
  • Biological assembly extraction for large proteins has been improved for memory and CPU usage.

Minor bug fixes

  • Superposition methods for using OETrans instead of raw double pointers for rotation matrices and translation vectors have been improved.
  • A bug that caused an issue with extracting biological assemblies if they had a blank REMARK line in the PDB file has been fixed.