[Debian-med-packaging] What are ndft files and how to edit these

[Ian Davis]

Hi Andreas,

The ndft files are N-dimensional scalar fields in binary format,
representing the statistical density of various side-chain conformations.
See http://kinemage.biochem.duke.edu/databases/rotamer.php, especially the
Son Of download and its README file (
http://kinemage.biochem.duke.edu/databases/READMEforTop500angleData.html).
The binary format is straightforward but made up, you'd have to read the
code in that download to reverse engineer the format, I don't remember it
any more  :)  I think I called that package Silk, the one that contains the
reader/writer code.

The files are used by tools for rebuilding protein structure, to judge how
(un)favorable a proposed conformation is.  Without them, those tools won't
work, though other parts of KiNG may (or may not, depends how good my error
handling code was).

Best,
Ian

On Fri, May 4, 2012 at 9:37 AM, Andreas Tille <tille at debian.org> wrote:

> Hi,
>
> our ftpmasters checked my upload of the king Debian package and had the
> following question:
>
>   While checking your package I found some files of a type I don't know.
>   What are ndft files (found in
>   king-2.20.110601/chiropraxis/resource/chiropraxis/rotarama/*)?  How
> would I edit them?
>
> The background is that we can not provide binary data without source
> inside Debian if the user hase no chance (not even in theory) to change
> these.
>
> In how far are these data needed to run King?
>
> Kind regards and thanks for providing King as Free Software
>
>     Andreas.
>
> --
> http://fam-tille.de
>
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