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Hi I am wondering if anyone knows a way to convert Xplor distance_restraint files to Amber format (7 or 8 column). Regards Raman

asked Sep 24 '10 at 14:05

rparkesh's gravatar image

rparkesh
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updated Sep 24 '10 at 14:14

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
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Hi Raman, I've edited title a little bit. More informative title helps a lot. Cheers. - Evgeny Fadeev (Sep 24 '10 at 14:14)


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Hi, this might help after some tinkering - nut utility - that I've written for various purposes when I was a postdoc. There is a function that properly parses XPLOR restraints. If you can program in Perl, you can write a function that saves data in Amber format after reading XPLOR.

Then there is the CCPN format converter, but I don't know if it handles Amber output.

link

answered Sep 24 '10 at 14:33

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Evgeny Fadeev
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updated Sep 24 '10 at 14:33

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Thanks for the script. I actually tried the CYANA files directly in AMBER and going through the error massages It worked fine.

I will try to use perl to create scripts for converting Xplor files to AMBER format.

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answered Oct 02 '10 at 10:16

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Raman Parkesh
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