one for obdepict

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one for obdepict

Dimitri Maziuk
Hi all,

if anyone's collecting test cases for OBDepict, the attached SDF when
run through
  mol.write(format="svg", opt={ "a" : None, "i" : None, "b" : "none" })
produce the attached SVG -- note the 7-bond ring carbons.

PubChem 3D SDF for CID 5057 before atom reordering produces an OK
picture, in it the atoms are in a different order.

Dimitri Maziuk
BioMagResBank, UW-Madison --


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alatis_output_Structure3D_CID_5057.sdf (11K) Download Attachment
alatis_output_Structure3D_CID_5057.ob.svg (27K) Download Attachment
signature.asc (197 bytes) Download Attachment