On 28 April 2010 00:13, Michael Bieri <michael.bieri@xxxxxxxxxxxxx> wrote:
Yes, I think we should make a dialog that already displays the sequence, so the users are able to see if the sequence is correctly read in. I will add this element at a later step.
This would be good for a future version. What do you think of that tree view GUI element to display the hierarchical structure? This could be placed in its own class so that it can be reused inside a frame/window in the future, so that you click on the spin and all the info is displayed in another GUI element next to it.
What do you think? I even would prefer to have a text box, where users can paste a sequence in, such as in CcpNmr.
Users are fussy and have their own way of doing things. Why have the sequence typed out if you can read it directly from a PDB file? We shouldn't artificially restrict user's abilities as the philosophy behind the design of relax is flexibility, which hopefully can be transported into the GUI. Pasting a sequence in would be quite useful for some users. But if you would like this to be the only choice, you'll first have to write the sequence data for this thing http://en.wikipedia.org/wiki/Paclitaxel ;) Anyway, any way of loading the sequence data will be accepted into the core of relax and can accessed via any UI element - that would just add more flexibility which is a good thing. I do think that reading the sequence from PDB, a specific columnar formatted sequence file (can be any data file which contains the sequence info in certain columns), or pasted sequence data should all be accessible as ways of filling the molecule-residue-spin data container structure. Just don't forget the RNA/DNA/sugar/small molecule people - you never know, you might be working on one of these (maybe complexed with a protein) in the future! Regards, Edward