RegMol 7.6.0 External Release Notes

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These release notes highlight the key updates introduced in RegMol 7.6.0, including improvements to registration workflows, FlexView usability, Assay View permissions, structure handling, search reliability, and data exports.

ADC form

  • When creating an ADC (Antibody-Drug Conjugate), users who leave the antibody ID blank will now see a helpful message explaining what is needed. This prevents unexpected errors and makes the ADC creation process more intuitive.

Assays

Assay View

Assay View assignment now better aligns with each user’s read and write permissions for the selected project.

  • Users will now see a clear warning when attempting to download files from an assay view in rich text format. The message explains that rich text is not supported, helping prevent confusion and ensuring a smoother workflow.

FlexView

  • Added page count controls in FlexView, allowing users to select more than the default number of entities per page.
  • Added the ability to define chart x-axes using existing column categories.
  • Fixed an issue where saved formatting could be undone after refreshing FlexView.
  • Improved RegMol translations when Chinese is selected as the display language.
  • Fixed several FlexView issues:
    • Image fields now display actual images that can be double-clicked, rather than only showing file names.
    • Rich text column data is now retrieved correctly.
    • Column ordering in the assay results modal has been corrected so that the structure image and entity ID always appear first.
  • Highlighting in FlexView is now restricted to the Collapse structure format.
    • When the Expand Structure (ExpStr) icon is selected, users will see a message explaining that compound highlighting and structure expansion cannot be used at the same time.
  • Non-aggregated results now display by default, and column titles have been updated from “Total” to their actual names.

Biology

  • When registering protein or antibody entities, users can now upload 3D structure files, such as Protein Data Bank (PDB) files, directly to the registration form and preview them using the Model3DView package. A new X-Ray Crystallography section has also been added to these entity forms to make it easier to store crystallographic data.
  • Enhanced bulk registration for proteins and antibodies to support functionality that was previously available only for single registrations. When a protein sequence is created by indicating the translation of an existing gene record, RegMol now automatically creates the relationship between the gene and the protein or antibody record.
  • Made significant improvements to the HELM2MOL API endpoint by adding an outputformat parameter. Users can now specify molfile, SMILES, InChI, or JSDraw output formats. The RegMol Swagger documentation has been updated to reflect these changes.
  • Added a validation check for bulk uploads of new HELM monomers to ensure all R-groups that specify an end cap are uniquely numbered.

Chemistry

  • Bulk registration now works reliably when “No Structure” molecules appear in the middle of the list. A user-friendly prompt has also been added to remind users to enter “No Structure” in the relevant cell, making bulk registration easier to complete.

General

  • Users can now download CSV files from Parent Explorer with dates formatted as YYYY-MM-DD and time as HH:mm:ss. This provides more flexibility when exporting Parent Explorer data.
  • Resolved a limitation in advanced search when handling multiple OR conditions. Search results now properly support cases where matching results are found within the OR intersection, without causing an error.

Projects

  • When registering a new batch and associating that batch to one or more projects, the user now needs to have write access for every project in the project list. This permission check had not been enabled previously.

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