Knime: Combinatorial Reaction Enumeration

[joos....@gmail.com]

maybe I'm doing something wrong or it is a coincidence but I always only get 1000 reactions.

Is this an error on my side, built-in limit or a bug?

[Mikhail Rybalkin]

Hello,

We've just added an additional option in the Combinatorial Reaction Enumeration that limit the number of products. It is set to 1000 by default. We added such option in Indigo to there too many products (for example due to the incorrect reaction). You can adjust this option to your needs.

Best regards,

Mikhail

[joos....@gmail.com]

Hi Mikhail,

ok great. It works.

However there is an issue with memory consumption. Don't know if ti is a bug or just how it works. Memory usage just rises constantly during the calculation and at some point the calculation "crashes" due to out of memory error. Sometimes Knime crashes too but it has to be restarted anyway to work properly again. So bascially now the limit is the JVM settings and installed RAM.

Best Regards,

Joos