The problem was that I caught exceptions and parsed molecules without
sanitization, which eventually led to RuntimeErrors. Using only
sanitized mols, the list comprehension works fine - request withdrawn!
:)
On Fri, Apr 4, 2008 at 3:27 PM, Greg Landrum wrote:
> On Fri, Apr 4, 2008 at 12:45 PM, Ad
On Fri, Apr 4, 2008 at 12:45 PM, Adrian Schreyer wrote:
> Thanks Greg, this is what I suspected. By the way, will you change
> error handling in RDKit generally? Currently,
> GetAtomPairFingerprintAsIntVect(mol) will throw a RuntimeError if the
> molecule is invalid (an error occurs) - maybe th
Dear Igor,
On Fri, Apr 4, 2008 at 1:41 PM, Igor Filippov [Contr]
wrote:
> Did you have a chance to take a look at compiling RDkit on 64-bit Linux?
> Unfortunately OSRA has dependencies that can only be dynamically linked
> (e.g. ImageMagick) so using 32-bit executable on 64-bit system can be
>
Dear Greg,
> I'm not happy about this either. I have access to a 64-bit machine at
> work and I will give that a try on Monday (I use that machine
> regularly, but I don't normally build on it). In the meantime:
> applications you build on the 32-bit machine should definitely work on
> the 64-bit
Thanks Greg, this is what I suspected. By the way, will you change
error handling in RDKit generally? Currently,
GetAtomPairFingerprintAsIntVect(mol) will throw a RuntimeError if the
molecule is invalid (an error occurs) - maybe this can be changed
analogous to the supplier functions. This would ma
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