IMO it's a trivial configuration issue. You should trust the nightly
builds. We always welcome more nightly builds (hint hint) of course if your
OS or g++ version is not listed. I'm happy to talk you through setting one
up, or else sshing in to do so.
- Noel
On 9 May 2012 22:23, Craig James wrot
Can you confirm that this does not affect canonical labels for regular
molecules?
And just a matter of interest, what do you use the fragment canonical
labels for?
- Noel
On 4 May 2012 22:20, Craig James wrote:
> I just checked in a simple but important change to canon.cpp. It's been a
> long
On Thu, May 10, 2012 at 6:44 AM, Noel O'Boyle wrote:
> Can you confirm that this does not affect canonical labels for regular
> molecules?
It actually only affects molecules with two or more disconnected
fragments (e.g. "OCO.Br.Br"). The canonical labels are computed
separately for each fragment
