IMP Reference Guide
develop.63b38c487d,2024/12/22
The Integrative Modeling Platform
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Basic SAXS restraint. More...
Inherits RestraintBase.
Basic SAXS restraint.
Public Member Functions | |
def | __init__ |
Builds the restraint. More... | |
def IMP.pmi.restraints.saxs.SAXSRestraint.__init__ | ( | self, | |
input_objects, | |||
saxs_datafile, | |||
weight = 1.0 , |
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ff_type = IMP.saxs.HEAVY_ATOMS , |
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label = None , |
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maxq = 'standard' |
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) |
Builds the restraint.
input_objects | A list of hierarchies or PMI objects that the SAXS restraint will be applied to. This hierarchy must be atomic unless ff_type=IMP.saxs.RESIDUES is used. |
saxs_datafile | the SAXS .dat file. |
weight | Restraint score coefficient |
ff_type | the form factor to use, of the following types:
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label | Label for the restraint in outputs |
maxq | Maximum q value that the restraint will be evaluated at. If set to 'standard' (the default), the following values will be used (these values were eyeballed by comparing ALL_ATOM calculated SAXS profiles to those calculated with the reduced representations, so could be improved):
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