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Topic: SMILES upgraded  (Read 3925 times)

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Offline Borek

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SMILES upgraded
« on: August 29, 2013, 12:47:59 PM »
Indigo renderer upgraded to 1.1.11. Looks like the meso compounds with marked chiral centers are still marked "Chiral", I thought they will not. But perhaps it just means I need to dig deeper into documentation and/or change something in the script. I will check later.

All images are rebuilt. Not that I expect you to be able to spot the differences.

Edit: hm, they added a method, but it is not called by default. I may have to modify sources. It'll take some time.
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Offline Borek

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Re: SMILES upgraded
« Reply #1 on: September 02, 2013, 06:44:58 AM »
Nah, they added a new method to Java and Python versions, but we use C++ code, so it won't work for now :(
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