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MobleyLab / chemper

Repository for Chemical Perception Sampling Tools
MIT License
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Make sure there is no (or at least hight) max substructure search #75

Closed bannanc closed 5 years ago

bannanc commented 5 years ago

In testing out chemper I noticed this warning from OpenEye. Warning: default number of matches limit reached in substructure search. There is an easy fix for this with OESubSearch.SetMaxMatches.

I should also make sure there isn't the equivalent warning with RDKit.

bannanc commented 5 years ago

I've done some googling and it doesn't look like this is a problem with RDKit so for now I'm going to fix this in OpenEye. If a similar warning comes up in RDKit I'll address that at the time.

bannanc commented 5 years ago

closed by PR #68