Bradley

Send me your example off-line so I can test it and maybe modify.

Nigel

On Thu, Jul 17, 2014 at 12:52 PM, Bradley Hintze <bradley.hintze@duke.edu> wrote:

Hey PHENIX,

I am wondering if I can define a distant restraint longer that 3A in a custom restraint file? The conventional way of doing this is to provide :

refinement.geometry_restraints.edits {

  C8_C1=chain C and resid 8 and name C1'

  D10_C1=chain D and resid 10 and name C1'

  bond {

    action = *add

    atom_selection_1 = $C8_C1

    atom_selection_2 = $D10_C1

    distance_ideal = 9.1

    sigma = 0.02

    slack = 0.5

  }

 Obviously this is a distant and not bond restraint. 9.1 exceeds the allowed length of 3 for a bond. Is there a different type of restraint that allows longer distances?

Thanks!

--

Bradley J. Hintze

Duke University

PhD Candidate

Department of Biochemistry

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Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
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