Hi again,
I've managed to make it work. Please find the working code attached as a
notebook. Unfortunately, it seam there is a small bug with SetScale: if the
diff in min/max x or y in the minimum point and maximum point is zero or
close to zero, then the molecules are broken. I've added a margin
I've tried that, but ended up with molecules out of picture. I'll try again
tomorrow and ping back here should I succeed. The real problem were two
atom molecules, which have delta x or y = 0, such as C=0 or CN.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
Hi Maciek,
You can do this by calling setScale() method on MolDraw2D(). There's not a
decent python example around yet (would be something for the cookbook I
suppose), but the C++ code isn't too complex and demonstrates how it works:
Hi RDKitters!
Quick question: is there a way to force drawing to output molecules on a
grid image or separate in fixed scale (i.e. constant/matching bond length)?
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
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