Ralf

On Thu, Mar 15, 2012 at 8:20 AM, Maxime Cuypers <cuypers@ill.fr> wrote:

hello,

What is the best way to selectively remove bond length restraints on some selected atoms for phenix.refine?
i found the commands for a .param file:

refinement {
geometry_restraints.remove {
    angles = None
    dihedrals = None
    chiralities = None
    planarities = None
}
}

but no bond length command in the manual online. http://www.phenix-online.org/version_docs/dev-283/refinement.htm
otherwise there is the commands

refinement {
geometry_restraints.edit {
    bond {
    action= *delete change
    atom_selection_1= (selection1 here)
    atom_selection_2= (selection2 here)
    distance_ideal= None
    }
}
}

is it a good way to deal with the problem ?
thanks in advance for your help.

Maxime

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