> Miguel,
>
> am I reading right your idea of simple solution?
You are reading it right ... I did not mean to imply that it was simple.
> Open two Jmol windows A and B (that are more or less identical in
> sw-incarnation, so no code-writing is needed????)
Yes, more or less.
> A has protein structure in it
> B renders a 'contour' with little mountain
> ranges shown as this 130x130 space in a 3D graphical
> viewer ... like Jmol) - that is excellent - !
Yes, that was the idea.
> Then the only thing to do is to make them comunicate = the selections in B
> are passed to A - and according to you "This part is trivial" :-)).
The *part* that I was referring was the transfer of selected group numbers
to A ... essentially:
viewerA.evalString("select *; wireframe; select 29,53; wireframe .5");
Now, building a pretty contour-map for B is probably non-trivial. And you
need to recognize the mouse clicks.
** 2 minutes later **
But, I think that I have come up with a simplistic low-cost way to
prototype this ... and you can do it all by yourself.
You have your text data representing your data matrix 'M'. We were talking
about 130x130
Convert your data into an XYZ file. Format is simple.
x & y coordinates are your 130 x 130 square. x & y coordinates should go
1,2,3 ... 130
Z coordinate is your correlation coefficient, scaled by a factor of 10
(?). You can also choose atom types to get different colors.
Load this map into Jmol.
wireframe off; spacefill .75 ; hover %x %y %z
The 'hover' command will show you the matrix location (%x %y) and the
scaled correlation coefficient.
Clicking on an atom will generate an atom number.
>From the atom number we can get the atom coordinates.
Play with that and let me know how it goes. If you like it then we will
talk about hooking it up to copy B of jmol ... that has the protein.
Maybe it *is* simple after all :-)
Miguel
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