AMBER Archive (2007)

Subject: AMBER: Covert NOEs form Xplor to Amber

From: saccenti_at_cerm.unifi.it
Date: Wed May 09 2007 - 09:09:12 CDT

Hi Amber Folks,

I need to convert an Xplor NOE file like this:

assign (resid 270 and name HN )(resid 270 and name HB# ) 5.0 3.2 1.0
assign (resid 270 and name HN )(resid 270 and name HA ) 5.0 3.2 1.0
assign (resid 271 and name HN )(resid 306 and name HG2# ) 5.5 3.7 1.0
assign (resid 271 and name HN )(resid 270 and name HB# ) 4.0 2.2 1.0
assign (resid 271 and name HN )(resid 271 and name HB# ) 4.0 2.2 1.0
assign (resid 271 and name HN )(resid 272 and name HA# ) 5.0 3.2 1.0
...

to the Amber format.

Yes, maybe I'm crazy, but does anybody have a script or know if amber has
a such utility implemented? (and mybe can explain me how to do?) :-)

many thanks
edoardo 

-- 
Dr Edoardo Saccenti
CERM Magnetic Resonance Center
University of Florence
Fiorgen Foundation
Via Luigi Sacconi n° 6
50019 Sesto Fiorentino
(FI) Italy
Tel: +39 055 4574281

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