On 5 May 2012, at 13:40, Ferenc Szalai wrote:
> Hi,
>
> I attached a structure in 2d mol file. If I try to generate 3d
> coordinates for this structure ether using obgen or the pybel
> interface I get result with invalid coordinates ('nan') and a lot of
> warning messages which are stats the something bad with scaling:
With a build from SVN 4747 that I compiled on OS X on Friday, I get a perfectly
reasonable set of 3D coordinates from Ferenc's 2D input. So I wonder if this
is a compilation problem rather than a software one.
Tom
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