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:
WARNING: too small "scale" at Newton2NumLineSearchMy questions: 1. What is the reason of this invalid result? 2. Is is possible to parametrize the openbabel to ether get a right result or get exception instead of invalid result? I'm using the latest svn tunk version of openbabel. -- Regards, Ferenc
foo.mol
Description: Binary data
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