User 2f24778469
16-05-2011 22:59:06
I'm converting molecules into PNGs using the MolConvertWS SOAP interface. I was using simple conversion parameters ('png:w200,h200') as the defaults suited my purposes. Today I came across a molecule that rendered in ball-and-stick 3D view by default (rendering explicitly with the 3D defaults creates the same image), while all the others I checked were still 2D wireframe. I switched to explicitly using the 2D defaults ('png:w200,h200,H_heteroterm,#ffffffff,cpk,wireframe') and it displays as expected now. My problem is solved, but why did this molecule render in 3D by default? This was the offender:
591753
-OEChem-02060611583D
7 6 0 0 0 0 0 0 0999 V2000
Ez-VGa3Wb10W60
hxyVEA+Va10W60
L00WN--VK00W70
8Y3W31+VVz-VG0
ir2WutwVjg+V80
Js5WEG0Wkg+V80
Nt4WOHzVef4WH0
10301
20301
30401
40502
40602
40701
M END
I'm using JChem 5.3.4 and JChem Web Services 5.3.4.
Edit: spelling