I like the tree view idea. Do you think of a a collection of amino acids (dna, rna...) that is initially linked to the sequence or should the entries be read from the pdb file.
I also think reading sequence from pdb file is by far the best and most appropriate method! This will never get disabled. Maybe, we should introduce a correction function that converts (or adjusts) assignments to the pdb file, if the assignment was not done with the same numbering? Cheers Edward d'Auvergne wrote: > On 28 April 2010 00:13, Michael Bieri <[email protected]> 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 > > > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
