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Wrong smiles in HELM

Open AliaksandrDziarkach opened this issue 5 months ago • 0 comments

Molecules saved to HELM generate SMILES with non-existing cycles: PEPTIDE1{A}|CHEM1{[C(N%91)=C%92.[*:1]%92.[*:2]%91 |$;;;_R1;_R2$|}$CHEM1,PEPTIDE1,1:R2-1:R1$$$V2.0 Also all molecules repited for each polymer.

AliaksandrDziarkach avatar Aug 30 '24 20:08 AliaksandrDziarkach