A New Toolkit on the Block

A few days ago I was pointed to a new cheminformatics toolkit called Indigo, written in C++ with source code available under the GPLv3 license. Rich has previously commented on this. While it’s an initial release, it has a number of interesting components such as an Oracle cartridge, 2D depiction and scaffold detection and R-group generation. Unfortunately I wasn’t able to run the OS X binaries – I’ll give it a try on Linux. The future plans for the library also seem quite interesting including wrappers for other languages, chemical OCR etc. It’s also nice to see that they have a page describing the algorithms they implemented – some of them well known ones such as the Kabsch alignment method and others (fingerprints, depictions) that appear to be unique to the toolkit. Unfortunately, most of the descriptions are in Russian, so we’ll have to wait for English translations.

5 thoughts on “A New Toolkit on the Block

  1. Thank you for your post, Rajarshi. Can you describe what the problem is with OS X binaries, please? What OS version do you have?

  2. When I run them I get a bus error. This is on OS X 10.5.4

  3. Then this is probably OS version incompatibility (our builds were for 10.6). Thank you for pointing us to that. We have prepared builds the for users of OS X 10.5. Please see the ‘Downloads’ section on the site.

  4. Thanks Dimitry, I will take a look later this week

  5. […] back I had mentioned a new cheminformatics toolkit, Indigo. Recently, Dmitry from SciTouch let me know that they had […]

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