IndigoInchi

[Zest Rico]

Hello, 

Indeed, it is a true pain in the ass and waste of time to find how to download and use indigoInchi.

The only documentation that we can find in for Bingo.

I used rdkit. easy to find the minumn info to get start.

Eric

[Savelyev Alexander]

Dear Eric

It is sad that you did not find the relevant information. indigoinchi should be available in maven  as well as in pypi repos. We will try to improve the documentation for that

Thanks

Aleksandr

[Zest Rico]

Dear Alexander,

Thanks for response. 

The same for IUPAC name generation. 

Is there a tool to generate name for structure. It seems we can generate strucutre from name, but nothing found in the documentation.

I like to use Bingo. I like to use Idigo API, but i spent too much time searching in documention. 

I will continue to use Bingo as it is a very good cartbrige. I have a lot of phyton script based on Indigo. But now i do not want to make effort anymore searching in the doc, 

Now  i have to generate IUPAC names from strcutres, i will not search to see if Indigo can help me for this.

I wish you a nice day.

Eric

[Savelyev Alexander]

Dear Eric

Unfortunately, there is no full implementation for IUPAC names yet

Currently, the following grammar elements are supported:

• Alkanes (-enes, -ynes) and its derivatives
• Locants expansion
• Cyclic alkanes (-enes, -ynes) and its derivatives
• Skeletal ‘a’ substitution
• Basic elements (up to number 100)
• Dictionary of trivial names (~150 names)
• Relaxed vs. strict IUPAC grammar (penta-1,3-diene vs. 1,3-pentadiene)

Some documentation can be found here

https://lifescience.opensource.epam.com/indigo/examples/name-to-structure.html

With best regards

Aleksandr