Spruce TK 1.3.0

July 2021

New features

More detailed changes are as follows:

Minor bug fixes

  • A bug that caused the loop modeling algorithm to crash in rare instances has been fixed.

  • Examples have been modified to use appropriate command-line arguments.

  • An issue that caused style on OEProtonateDesignUnit has been fixed.

  • An issue in OEMakeDesignUnitFromPocket that caused style to remain on both the previous binding site and the one defined from the pocket has been fixed.

  • An issue with the return value of superposition when two structures cannot be superposed has been fixed. It now properly returns a -1.00 RMSD.

  • A bug in superposition that resulted in a crash when using site residues that were not present on a design unit has been fixed.

  • A bug that kept the insert code from its anchor residue when there was an N-terminal cap has been fixed.

Documentation changes

  • Documentation has been added for the Iridium classification. Iridium.