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PistoiaHELM / HELMWebEditor

Web browser based editor for drawing HELM macromolecules.
MIT License
17 stars 10 forks source link

Ratio of groups changed when HELM applied to the canvas #237

Open ClairePA opened 5 years ago

ClairePA commented 5 years ago

I type the HELM PEPTIDE1{A.A.A.A.A.C.D.D.D.D.D.E.E.E.E}|PEPTIDE2{G.G.G.C.S.S.S.S.S.P.P.K.K.K.K}|CHEM1{[PEG2]}|CHEM2{[SMCC]}$PEPTIDE1,CHEM1,C:R3-1:R1|PEPTIDE2,CHEM2,C:R3-1:R1$G1(PEPTIDE1+CHEM1:2.5)|G2(PEPTIDE2+CHEM2:1.5)$$V2.0 onto the HELM canvas and click apply.

The structure is displayed,

image but the HELM is changed to

PEPTIDE1{A.A.A.A.A.C.D.D.D.D.D.E.E.E.E}|PEPTIDE2{G.G.G.C.S.S.S.S.S.P.P.K.K.K.K}|CHEM1{[PEG2]}|CHEM2{[SMCC]}$PEPTIDE1,CHEM1,C:R3-1:R1|PEPTIDE2,CHEM2,C:R3-1:R1$G1(PEPTIDE1+CHEM1:2.5)|G2(PEPTIDE2+CHEM2:1.5)$$V2.0

The ratios have been swapped over. See below to see the problematic section highlighted.

image