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::BondedResidueflag is turned off,
OEGetResidueAtomsnow 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.