Ugly depiction of random molecule

Hi,

just came across this in Marvin 5.2.2

C[C@H]1[C@H]2CN1[C@@H]1CC[C@@H]3CC[C@H]2[C@H]13

lokks pretty bad in marvin, looks decent in CACTVS gif creator

http://cactus.nci.nih.gov/gifcreator/

See pictures below. Most of the other mols look OK.

 

Oh and the molecule is from GDB13 (random dataset)

http://www.dcb-server.unibe.ch/groups/reymond/gdb/home.html

Actually the latest Marvin View has a very nice speed, its possible to scroll in real-time through the

10 Mio dataset on a Nehalem quad core. Thank you!

Tobias

Hi,

Thank you for the information.

Please check the result from the forthcoming Marvin 5.3.

with plain clean:  plain_clean.png

and clean with Hydrogenize Center Center option: clean_withStereoH.png

Andras

Hello,

that looks much nicer now.

Thank you

Tobias

We are continuously testing and try to improve the 2D depiction, so reports from failures are welcome.

Thank you

Andras