Omega TK 2.2.2¶
Fixed a major bug that would cause highly-symmetric, highly-fluorinated compounds to crash the program or hang a slave in PVM mode.
Fixed a bug in atom typing when building fragments from scratch that, in some rare cases, could result in differing fragment geometries depending on the order of input of the molecules.
Added more places that check for time exceeding max time. This is more just to prevent overly large molecules from appearing to hang.
If OMEGA is called with a fixed predicate, this now implies that FromCT is false. In other words, if you want to use a predicate to fix atoms, you need to use a 3D structure as input.