Hi All.

I've been doing a bit of work on incorporating RNA support into the next 
Jalview release and thought I'd give you all a progress update. I can 
also make a few comments on Lauren's last email at the same time ;)

On 11/10/2011 22:29, Lauren Lui wrote:
> It wasn't immediately clear to me how to read the base-pair sequence
> logo but I figured it out after reading the documentation.  =) I like
> that when I hover over the base pair I can see the percentages of the
> different types of base pairs.
This is pretty essential, IMHO.
> Having two bases squeezed into one column makes it difficult for me to
> tell the difference between G and C, but I can always look at the
> sequence consensus to see which type of base pair I'm probably looking
> at. When there's quite a few different base pairs that occur in one
> position, it's hard to see what is occurring.
yes. I've fixed this to some extent by implementing a 'normalised 
sequence logo', which is something Kersten asked for. A normalised logo 
is when all the base pair stacks add up to the same height (rather than 
additionally being scaled by the histogram height), and makes for a more 
readable display, but it still gets difficult if you are interested in 
the rarer base pairs.
>    Is there a way to
> export the percentages of the different types of base pairs?
There is, but its still a bit buggy for the structure consensus. 
Typically, you should be able to right-click on an annotation row and 
use the 'export' option to export that line as a CSV or jalview 
annotation row. However, a bug is preventing the structure consensus 
percentages being exported in the CSV.
> I work with non-canonical base pairs with the kink-turn sequence.  GA
> base pairs actually stabilize the structure. I'd prefer if the base
> pairs that are displayed are based on the secondary structure
> specified, instead of just the canonical (and GU) base pairs. However,
> I can see that displaying all base pairs might be problematic.
I'll let Jan look into that, but I think it should actually be OK. There 
are a finite number of possible interactions, after all !
The reason the combinations are limited currently is that the 'structure 
consensus'  measures the fraction of canonical (+GU) vs non-canonical 
interactions present in the column, and the logo excludes the canonical 
ones. I guess it might be worth having an option to include all pairs in 
the logo display for exactly this kind of situation.
> My advisor is showing Jan's version in his RNA bioinformatics class
> today.
I was really pleased to hear this - I hope the class liked it !
>    Do you think that output to a stockholm file would be
> possible?
heh - unfortunately not at the time you wrote. Sorry about that. 
However, it is now a real priority, I think.

Here's a summary of what's been happening with the Jalview code w.r.t. RNA:

1. All GSOC2010 and GSOC2011 code is now merged into the Jalview 
'development' branch on the git repository. This means that the new RNA 
viz features will be available in the next major jalview release (I 
think this will be 2.8, since there have already been some big changes 
'under the hood' over the past few weeks).

2. WUSS annotation display and local structure consensus is now 
available in applet as well as application

3. secondary-structure dependent calculations (like helix colouring and 
local structure consensus) are now updated when the user modifies 
secondary structure using the annotation editing functions or by 
deleting or inserting whole columns in the alignment.

This is all available from the development branch build, which is 
currently at 
http://www.compbio.dundee.ac.uk/user/ws-dev1/jalview/develop. There's a 
demo of RNA secondary structure display in the applet here: 
http://www.compbio.dundee.ac.uk/user/ws-dev1/jalview/develop/applet/applets.html

The only outstanding RNA-related issue that needs to be fixed before 
release is to include full support for storing and retrieving RNA 
secondary structure annotation in the Jalview project. However, there 
are also a whole bunch of 'nice to haves', some of which may need to be 
deferred to the next release:

1. Stockholm export. (not essential but would be really good if we can 
round-trip).
2. Complete and debug the integration of VARNA in the desktop using new 
VARNA listeners/methods
3. Allow VARNA integration for applet.
4. Allow VARNA state to be stored and retrieved from a Jalview project.

#4 is dependent on having a suitable format for storing the VARNA 
display state. Yann is working on this, but the format implementation 
might not be ready for the first release. It will be essential for 
publication, though. The others are all fair game, if anyone has some to 
spare to do some Java hacking!

Jim.
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