Hi
I really like the Protein Sequence Assignment popup, it works very robustly now.
I have a few suggestions/comments to make about this pop up.
1.) It would be good if when I clicked on a Query spin system (and it moves to that spin system in the query window and potential links in the target window) if it could track on the HSQC window as well and mark the peak that is the query. I am not sure if it used to do this but it currently does not for me.
2.) I also think it would be good if there was a new button that when pressed popped up another window that showed strips of all the spin systems in that linked stretch.
"Finally, it is very nice how it gives you potential "Sequence locations" of
stretches of sequential spin systems. It would be even nicer if it was
possible to press a button here to show these sequential spin systems in a
strip view. i.e. i+2,i+1,i,i-1,i-2 in 5 strips in the same window
(preferably without horizontal strips). I would find this visual queue very
useful."
3.) One thing I noticed was that if I add a new peak I need to reload the popup for all the features to work. That is if I add a new peak I can "Set seq link" to it but I cannot press "Goto i-1" to move to that peak until I reload the popup. Obviously closing and reopening the popup is not a major issue but it could be improved. Maybe a "refresh" or "reload" button on the popup could be added as a quick fix?
4.) I would also find it useful to have a "Deassign Selected" button to complement the "Assign Selected" button that deassigns the whole of the linked stretch of residues. I dont know if this is possible (or if there is a reason why not to have it).
5.) Finally, if I click "assign selected" so it assigns the whole strip of sequentially linked residues it would be useful if it pointed out that this region will run through a proline. I assigned a strip of around 10 residues where a proline was in the middle and it did not point this out and produced a proline amide peak (tho I forget which atom names it used). I think a prompt to suggest that such an assignment is almost certainly wrong would be useful.
Cheers
Ben
|