Summary missing information (Input Structure PK)

[AndresOrtegaGuerrero]

When displaying the workflow summary, the PK of the input structure should be shown under Structure Properties. This helps users identify which PK to use for subsequent calculations involving the same structure.

Additionally, it should be clearly defined whether Structure Properties refers to the input structure or the relaxed structure.

Displaying the PK is crucial because, after the workflow finishes, it can be challenging to locate, especially since it is not available in the Input Structure tab.

or even if you go to the step 1 to see the structure ,

[AndresOrtegaGuerrero]

@edan-bainglass

[edan-bainglass]

Displaying the PK is crucial because, after the workflow finishes, it can be challenging to locate, especially since it is not available in the Input Structure tab.

Thanks for the tag!

Add PK for initial structure for sure! Regarding the initial vs. relaxed in summary - clearly initial, as we don't have info on the final structure when the job starts. Everything in the summary is "initial". Should I change the section title to "Initial structure properties"? Would that help? Note that the PK will again be of the initial structure. The PK of the final structure should be added somewhere in the structure results viewer.

[edan-bainglass]

You're assigned to #1050. I think you can add the PK as part of resolving that one?