Hi all,
I noticed that when a molecule has multiple conformations the assignment
operator in OBMol does not copy properly the active conformation but rather
sets it to be the first one in the conformation set.
I guess this happens because the molecule object does not "remember" the
index of the c
I just noticed that my suggested code below has a bug...
currConf should hold the index of the current conformation and not a pointer
to it (because that memory address belongs to the source object).
So, below is the corrected code. Hopefully no noticeable bugs this time ;-)
Cheers,
Izhar
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Bump - another patch.
On 20 July 2011 20:29, Izhar Wallach wrote:
> I just noticed that my suggested code below has a bug...
> currConf should hold the index of the current conformation and not a pointer
> to it (because that memory address belongs to the source object).
> So, below is the correc
