Search for monomers by structure in the HELM Monomer Curation App

For Administrators only.

Prior to this task:

✔ HELM Monomer library must be activated. 

1️⃣ HELM Monomer Curation ➡ Libraries ➡ select ["name of HELM Monomer library"]
2️⃣ HELM Monomer Curation ➡ select [Structure]
3️⃣ Structure Search window ➡ draw a structure
4️⃣ Structure Search window ➡ select [Match type]†
5️⃣ Structure Search window ➡ select [Search]

Supporting Knowledge

† Structure search types available: 

• Substructure: finds structures containing the query, including any additional attachments at open positions. This is the default search mode.
• Similarity: finds structures with features corresponding to the drawn structure, matching general structural features rather than specific atoms and bonds.
• Full structure: finds structures that completely match the query.
• Exact: finds structures identical to the query, including stereochemistry, charges, and isotopy.
• Tautomeric: finds structures where the location of single and double bonds may vary between the query and target.

Optionally, to edit the structure or change the search type, from the HELM Monomer Curation page, select [Edit], then select [Edit...]. From the Structure Search window, edit as needed.

Optionally, to clear the search, from the HELM Monomer Curation page, select [Edit], then select [Remove].