coordinates and/or vectors (for banding)

Case number:699969-990619
Opened by:ptfreed
Opened on:Thursday, September 29, 2011 - 11:27
Last modified:Thursday, September 29, 2011 - 11:27

It would be useful to be able a point in space, or a relative point in space. (The later is probably more useful, but the former would permit the latter.)

Similar, and perhaps easier to implement:
distanceX(), distanceY(), distanceZ()
xCoord(), yCoord(), zCoord()

With an absolute coordinate system, one can easily create relative coordinates. The reverse is also true to an extent; one can pick specific points on a protein (or calculate a bounding box) and use this info to create a mostly-reproducible set of axes.

The objectives
(1) to be able to store locations of segments (in an array of vectors or a 2-D array of coordinates)
(2) to be able to calculate new locations, based on the arcane and mercurial interests of the scripters, and
(3) to be able to band to those locations.

Add-ons that would make this even more useful:
The ability to get coordinates of the ends of a segment -- not just the middle. That would allow a serious scripter to treat each segment as a 3-d entity and not a simple point.

I believe that something like this is in the works for v2 -- but in case it is not, I thought it worth putting in a request.

(Thu, 09/29/2011 - 11:27  |  0 comments)


Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
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