some methods gone or modified

[Karen Karapetyan]

Hi,

Seems like in 1.1.10 the some methods are renamed. Could you confirm/add changes below:

stereocenterGroup() became ??

markStereobonds() became markEitherCisTrans()

It would be helpful if the API help page tracks this changes between versions.

Also, does markEitherCisTrans have any effect when you apply it to molfile with existing coordinates? Or it is effective only when loaded from smiles and no coordinate exists.

Thanks,

Ken

[Mikhail Rybalkin]

Hi Ken,

I'm trying to find this methods in the history, but I cannot find them.

Maybe it was a special version and we forgot to add it in the main branch? Could you send me the version name in which you have these methods?

In any case we will add them, but I just want to understand why they disappeared and if they have something special in the implementation. 

Best regards,

Mikhail

[Karen Karapetyan]

Looking at the history of indigo updates for this particular solution I see that it was last time updated on 8/20/2012, version 1.1. 

So method stereocenterGroup() was supported back then.

[Mikhail Rybalkin]

Hi Ken,

I couldn't find stereocenterGroup or markStereobonds method in Indigo for .NET even in the history or our commits. There is a indigoMarkStereobonds method in the plain C API, but there is no stereocenterGroup method...

Anyway we added such methods in the development version. You can download it here: http://ggasoftware.com/download/indigo/dev#indigo-1111dev

Does it work for you?

Best regards,

Mikhail

[Karen Karapetyan]

Yes, indigoMarkStereobonds (MarkStereobonds) is what I need. Can you please merge it with recent indigo release?

[Karen Karapetyan]

Sorry, I accidentally posted some junk under this topic.

So, to reconfirm -  yes, indigoMarkStereobonds (MarkStereobonds) is what I need. Can you please merge it with recent indigo release? Or may be make a dev version with recent one?

Thanks,

Ken

[Mikhail Rybalkin]

Hi Ken, 

Yes, that dev version is stable, it passed all our tests, and you can use it as the most recent version. We have merged it into the main branch and it will be in the public version of Indigo 1.1.11.

Best,

Mikhail

[Kenneth (Karen) Karapetyan]

Cool. Thanks a lot.

Thanks,
Ken

phone: (240) 205-2004

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[Mikhail Rybalkin]

Hi Karen,

We've just release a new version with a new documentation that has examples to the functions you requested. Look either to the announcement on the indigo-general, or directly to the documentation preview. 

Best regards,

Mikhail