Major bug fixes¶
- Internal debugging mechanism was left on in the previous release. This version turns it off improving performance across all libraries.
Minor bug fixes¶
- As long as the OEAssumption.BondedResidue flag is turned off, OEGetResidueAtoms now correctly returns an iterator for every atom in a residue when some atoms in the residue are not connected to others.
- Because some crystal symmetry space-groups share the same space-group number which can lead to the use of the wrong space group operators, when possible the name of the symmetry is now used rather than the space group number.