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glycojones / privateer

The Swiss Army knife for carbohydrate structure validation, refinement and analysis
GNU Lesser General Public License v2.1
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Stop flagging up high-energy conformations as 'check' in clear cases #83

Open glycojones opened 5 months ago

glycojones commented 5 months ago

A distorted monosaccharide with an RSCC > 0.90 is probably OK so shouldn't be flagged up as 'check'. Likewise, if RSCC < 0.5 then the user should be thinking twice before leaving it in the model.