[AMBER] Distance restraints

From: Beale, John <John.Beale.stlcop.edu>
Date: Mon, 7 Feb 2011 11:59:35 -0600

I am trying to set up some distance restraints for a homodimeric protein. One monomer is designated "A", and the other is designated "B". I am having trouble creating the "7col.dist" file. Two lines from my file are given below:

63A GLY CA 60B ILE CD1 4.0
60A ILE CD1 63B GLY CA 3.6

When I try to run makeDIST_RST (makeDIST_RST -upb 7col.dist -pdb dimer.pdb -map map.DG-AMBER -rst rst.dist) I get the following error:

"parse_upb: ERROR NOE data not in 7(3) column format: (63A GLY CA 60B ILE CD1 2.0)"

Can someone tell me what I need to do to put the data in 7(3) column format? I don't know what this means.



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Received on Mon Feb 07 2011 - 10:30:04 PST
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