The basic pKa of C3 in C#C[CH-]C#C should be about 33, not 47, as calculated in Marvin 4.1.6.
The terminal C in CC#C is still not recognized as acidic by the pKa plugin. It should be so recognized.
Ok. Thanks. We will fix this problem.
Is this bug fixed in Marvin 4.1.14? Marvin 5.0.0?
Yes, this bug fixed in 5.0.
I suppose you mean the first bug. I put any simple alkyne into Marvin 5.0, and it still tells me that there are no ionizable atoms. This is a serious deficiency.
I should add that delivering an accurate pKa for a propargylic, allylic, or alkynyl anion in dynamic mode is a big improvement over past versions. Thanks!
I notice that ordinary alkyl anions are still not recognized, though. But that's a less serious problem; we can always deal with them as a special case.