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k-ujihara / NCDK

The Chemistry Development Kit ported to .NET
https://kazuyaujihara.github.io/NCDK/
GNU Lesser General Public License v2.1
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Highlight #11

Closed nikitagitbetter closed 5 years ago

nikitagitbetter commented 5 years ago

Hi, I am student(sorry for my english). Your NCDK library is great, I am using it for my little school project. I need to highlight one atom in molecule, but I didnt find this function in your library or sometthing like this, I used AtomContainer for molecule and DepictionGenerator for enter it. Can you help with highlighting one atom in molecule please?

nikitagitbetter commented 5 years ago

Or how can I show chiral atom?

k-ujihara commented 5 years ago

Use NCDK.Depict.DepictionGenerator.Depiction Depict(IAtomContainer mol, IReadOnlyDictionary<IChemObject, Color> highlight = null) Method.

The sample code for MolViewer is in the following branch. https://github.com/kazuyaujihara/NCDK/tree/25ca60eeb1ce47d8d54b7e9fc1a5bb8afa516165

untitled
nikitagitbetter commented 5 years ago

Thank you!

вт, 6 нояб. 2018 г. в 16:39, Kazuya Ujihara notifications@github.com:

Use NCDK.Depict.DepictionGenerator.Depiction Depict(IAtomContainer mol, IReadOnlyDictionary<IChemObject, Color> highlight = null) Method.

The sample code for MolViewer is in the following branch.

https://github.com/kazuyaujihara/NCDK/tree/25ca60eeb1ce47d8d54b7e9fc1a5bb8afa516165

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