Frequently Asked Questions

No response after clicking a button?

Network latency can occasionally cause delays. Please avoid issuing repeated requests before any error message appears, so as to limit server load. Large structure or heat-map files also demand considerable computational resources; allow adequate processing time.

What types of files can the tool process?

The application accepts structural files in PDB or CIF format, as well as JSON files that contain a PAE (dictionary) object. These files typically originate from experimentally determined models or from structure-prediction platforms such as AlphaFold.

What functions does the tool provide?

  • Render structure data
  • Interactive visualisation of PAE data
  • Identification of intermolecular contacts
  • Interface-analysis utilities
  • Generation of contact maps
  • Annotation of contact residues for subsequent download

How do I use the interactive PAE heat map?

Upload a structural file and its identically named PAE JSON file concurrently. Select Structure Rendering, and then click the PAE button to load the heat map. Drag over a region of interest on the heat-map canvas; the corresponding reference chain (rendered in magenta) and scored chain (rendered in lime) will be highlighted instantaneously in the 3-D viewer.

Additional considerations?

You may analyse a structure file or a PAE file independently; simultaneous submission is not compulsory. This toolkit can be downloaded for offline use. If this toolkit contributes to a publication, please cite the associated article.