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Changes to Scaffold Finder node(?)

Member for

8 years 2 months James Davidson

Hi,

I have today been trying to use a workflow that I set up some time ago, and there seems to be a problem reading in the Scaffold Finder node...  Am I going mad, or did this node used to have two out-ports and not just one?!

I am almost certain that I used to be able to return multiple scaffolds for a set of input molecules using this node, and now I only ever seem to be able to return a single MCS...

Any help/advice greatly appreciated!

Kind regards

James

Comments
Wed, 12/14/2011 - 09:37

Member for

8 years 2 months

James Davidson

Actually, it may be that a subsequent R-Group Decomposition node (that uses the MCS as the scaffold) has failed to import...  It is a bit difficult to piece together what nodes / connections used to be there(!)

However, assuming that there should have been an R-Group Decomposition (which makes sense for what I was initially doing) - I am now seeing an error where I used to be able to run successfully:

ERROR R-Group Decomposer Execute failed: CMF saver: R-site numbers higher than 7 are not supported

I know others have reported the same error some time ago - as before, any help greatly appreciated : )

Kind regards

James

Fri, 01/20/2012 - 08:52

Member for

7 years

mikhail.rybalkin

Hello James,

Un updated version of Indigo node is now working with up to 32 R-groups correctly. You can try this version from the nightly builds.

Best regards,
Mikhail

Fri, 01/20/2012 - 10:26

Member for

8 years 2 months

James Davidson

That's brilliant news - thanks Mikhail! [actually, I had just seen that there was a new version, and had been investigating the new features : ) ]
Sun, 05/17/2015 - 04:56

Member for

3 years 2 months

joshwekang2015

It would be better to take time to understand the documentation. - Dennis Wong