OEDocking TK 1.2.6¶
New features¶
OEFormat_OEB
now supports the reading and writing of receptor information on OEMCMolBase conformers. Previously, only OEMolBase receptors were supported. The receptor APIs should still be used only on the active conformer of multi-conformer molecules; seeOEMCMolBase.GetActive
.
Minor bug fixes¶
OEFormat_OEB
will no longer have receptor data written to it twice. This caused the receptor OEBs to be approximately twice as large but was otherwise harmless.