[AMBER] Residual Dipolar Coupling

From: Rahul Banerjee <rahul.banerjee.chemistry.msu.edu>
Date: Tue, 6 Mar 2012 16:32:27 -0500

Dear All,

I want to generate restrain based on the RDC data from out NMR expt.

The data file is of following form:
2 -6.2
3 -8.75
4 -20.6
5 -12.03
6 -13.13

I have generate the RST.dip and RST.angle using this commadt:
>makeDIP_RST.protein -pdb protein.pdb -angle RST.ang -dip RST.dip -type NH -file rdc.dat

The RST.dip looks like this:
   id(1)=25, jd(1)=26, dobs(1)= -6.20,
   id(2)=36, jd(2)=37, dobs(2)= -8.75,
   id(3)=55, jd(3)=56, dobs(3)= -20.60,
   id(4)=72, jd(4)=73, dobs(4)= -12.03,
   id(5)=91, jd(5)=92, dobs(5)= -13.13,

How can I get the output with the limiting values (dobsu and dobsl)?

Thanks for your comments and suggestions.

With best regards,
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Received on Tue Mar 06 2012 - 14:00:02 PST
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