IMP Reference Guide
develop.63b38c487d,2024/12/21
The Integrative Modeling Platform
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Restrain residue/residues to bind to unknown location in a target. More...
Inherits RestraintBase.
Restrain residue/residues to bind to unknown location in a target.
Public Member Functions | |
def | __init__ |
Constructor. More... | |
def | get_container_pairs |
Get particles in the close pair container. More... | |
def IMP.pmi.restraints.basic.ResidueProteinProximityRestraint.__init__ | ( | self, | |
hier, | |||
selection, | |||
cutoff = 6.0 , |
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sigma = 3.0 , |
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xi = 0.01 , |
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resolution = 1.0 , |
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weight = 1.0 , |
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label = None |
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) |
Constructor.
hier | Hierarchy of the system |
selection | Selection of residues and target; syntax is (prot, r1, r2, target_prot) or (prot1, r1, r2, target_prot, target_r1, target_r2) |
cutoff | Distance cutoff between selected segment and target protein |
sigma | Distance variance between selected fragments |
xi | Slope of a distance-linear scoring function that funnels the score when the particles are too far away |
resolution | Resolution at which to apply restraint |
weight | Weight of the restraint |
label | Extra text to label the restraint so that it is searchable in the output |
def IMP.pmi.restraints.basic.ResidueProteinProximityRestraint.get_container_pairs | ( | self | ) |