Hi,
The current behavior of the Mol file reader is to set the dimensionality
based on what the Mol file itself says. So if it says "3D", the "is3D" flag
is set to true. If the flag says "2D" the flag is set to false. There's no
attempt to determine whether or not this is actually correct (though
Dear all,
I need to discriminate molecules with 2D or 3D coordinates.
I have a question regarding how RDKit decides if a molecule read from
SDF is 2D or 3D.
I have a 2D molecule with, for reasons, the "software line" (2nd line in
MolBlock) does not end with '2D' or '3D' but with '0D'.
For
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