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  • Added links to the monomer JSON schema.

  • Added location of xml schema for xHELM.

  • Clarified mandatory use of ? for connection points with unknown monomers like *, X and N.

  • Clarified rules for the use of in-line HELM particularly around connection point definition.

  • Minor revisions to aid clarity.

HELM Test set

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nameTest Set V1_0.xlsx

The team have compiled a set of around 150 structures that illustrate the full range of structures that can be encoded in HELM.This is included as a resource for anyone who wants to implement their own HELM tools rather than use the open source toolkit.

HELM Examples from ChEMBL

Roger Sayle kindly created this file of 1000 (inline) HELM strings from ChEMBL 21.It includes examples of multiple peptide chains, and nucleic acid sequences, but doesn't cover all of the corners of the HELM v2 (or v1.1) specification. It was created using the monomerlib2 monomer set.

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