PistoiaHELM / HELMWebEditor

Web browser based editor for drawing HELM macromolecules.
MIT License
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Cys-Cys bond is not retained after copying HELM into editor #201

Closed ClairePA closed 6 years ago

ClairePA commented 6 years ago

Steps to reproduce.

Enter the PEPTIDE1{A.R.C.A.A.K.T.C.D.A}$PEPTIDE1,PEPTIDE18:R3-3:R3$$$ into the webeditor. Click apply The structure displayed is: image and the HELM is changed to PEPTIDE1{A.R.C.A.A.K.T.C.D.A}$$$$V2.0 I draw a bond between the Cys monomers and get the structure I was originally expecting: image with the correct, but slightly different HELM PEPTIDE1{A.R.C.A.A.K.T.C.D.A}$PEPTIDE1,PEPTIDE1,3:R3-8:R3$$$V2.0

If I clear the editor and enter the generated HELM again PEPTIDE1{A.R.C.A.A.K.T.C.D.A}$PEPTIDE1,PEPTIDE1,3:R3-8:R3$$$V2.0 I get the correct structure.

It should be possible to define the Cys-Cys bond as either 3:R3-8:R3 or 8:R3-3:R3. Both are valid HELM and should be acceptable.

scilligence commented 6 years ago

There is a "," is missing between PEPTIDE1 and 8:

PEPTIDE1{A.R.C.A.A.K.T.C.D.A}$PEPTIDE1,PEPTIDE18:R3-3:R3$$$

ClairePA commented 6 years ago

Ah oops. Embarrassed face.