Webservices give errors when calculating cannonical SMILES

PistoiaHELM / HELMWebEditor

Web browser based editor for drawing HELM macromolecules.

MIT License

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Webservices give errors when calculating cannonical SMILES #226

Closed ClairePA closed 5 years ago

ClairePA commented 5 years ago

I type the following HELM PEPTIDE1{A.L.C}$$$$ into the webservices front end at [http://webeditor.openhelm.org:8000/WebService/FirstPage.html] and click the "convert to canonical SMILES" button.

I then get the following error

This happens no matter what HELM string I use.

If I use the site at http://54.83.135.171/WebService/FirstPage.html

I get

ClairePA commented 5 years ago

Total speculation here, but some changes were made to stop the webservices capping in-line HELM with H atoms as in-line HELM doesn't have capping groups. However, normal monomers do have capping groups and these should be used whenever there are unused connection points. Not sure this is actually the explanation, but just wondered.

ClairePA commented 5 years ago

OK, retested now we have the up to date monomer service and all is fine.