Kazuya Ujihara

Results 13 comments of Kazuya Ujihara

https://github.com/kazuyaujihara/NCDK/blob/master/NCDKTests/Fingerprints/ExtendedFingerprinterTest.cs may help you.

Sorry for the delayed reply. See `NCDK.Tools.AtomicProperties.GetMass()` method.

So I'm not familiar with Linux, I could not support it at this time. Your plan is very helpful for .NET community.

@JimSEOW How about [UnityMol](http://www.baaden.ibpc.fr/umol/) ?

I recommend using RDKit or the newest version of CDK to handle reactions.

Example program is only to embed to CSharps source code. I apologize that this name causes confusion.

So CML does not require cml is the root, Chemistry Development Kit (and NCDK) does not define xml namespace in molecule tag. In fact, PerkinElmer's ChemDraw 19.1 (newest verion) also...

I will consider about it. Anyway, there are several CML examples, which root element is not cml in like . ```xml ``` A quick glance at does not seem to...

OpenBabel also uses a molecule tag as root.

I understand the problem. I am also facing the same problem with accessing Excel. However, I won't fix it. Sorry.