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schwede
openstructure
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9a1eae3a
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9a1eae3a
authored
13 years ago
by
Valerio Mariani
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Documentation for the new prameter of the LocalDistanceTest function
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modules/mol/alg/doc/molalg.rst
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.. module:: ost.mol.alg
.. module:: ost.mol.alg
:synopsis: Algorithms operating on molecular structures
:synopsis: Algorithms operating on molecular structures
.. function:: LocalDistTest(model, reference, tolerance, radius)
.. function:: LocalDistTest(model, reference, tolerance, radius
, local_ldt_property_string=""
)
This function calculates the agreement of local contacts between the model and
This function calculates the agreement of local contacts between the model and
the reference structure. The overlap is a number between zero and one, where
the reference structure. The overlap is a number between zero and one, where
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possible solutions to the fixed atoms, that is, everything that is not
possible solutions to the fixed atoms, that is, everything that is not
ambigous is calculated. The solution that gives higher overlap is then used to
ambigous is calculated. The solution that gives higher overlap is then used to
calculate the actual overlap score.
calculate the actual overlap score.
If a string is passed as last parameter, the function computes the overlap score for
each residue and saves it as a float property in the ResidueHandle, with the passed string
as property name
.. function:: SuperposeFrames(frames, sel, from=0, to=-1, ref=-1)
.. function:: SuperposeFrames(frames, sel, from=0, to=-1, ref=-1)
This function superposes the frames of the given coord group and returns them
This function superposes the frames of the given coord group and returns them
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