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I have 5 different RDCs that I've extracted using simple perl scripts and Sparky .list files. I want to use XPLOR for structure refinement but the RDC input files have a different naming scheme and format from Sparky assignments. I wanted to see if anyone knows where I can find a conversion file from Sparky assignments to XPLOR RDC input files. I know Sparky can convert NOEs to XPLOR format and I assume this is possible for RDCs as well. Thank you for any help you can provide.

asked Mar 15 '10 at 09:42

mikaelastewart's gravatar image


updated Mar 15 '10 at 10:11

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev

if I had these scripts I would have shared them instantly. Will ask around hopefully find a good answer for you. - Evgeny Fadeev (Mar 15 '10 at 10:55)

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Well, I've written a utility collection script called "nut" when I was a postdoc in Rob Clubb's lab.

Here: http://nmrwiki.org/wiki/images/scripts/nut

It has a command built in -txt2rdc, but I know that scaling parameters and possibly some math inside is broken.

You can find out how to use the command by typing on the command line:

nut -txt2rdc -help

Maybe with nothing better you can take that and improve so that it's actually useful?

Besides, it has a bunch of other potentially useful routines. If you use it and get stuck - please let me know.


answered Mar 15 '10 at 14:33

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev

updated Mar 15 '10 at 14:37

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