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IMP Reference Guide
2.16.0
The Integrative Modeling Platform
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Create a restraint between consecutive TempResidue objects or an entire PMI Molecule object. More...
Inherits object.
Create a restraint between consecutive TempResidue objects or an entire PMI Molecule object.
Definition at line 16 of file restraints/stereochemistry.py.
Public Member Functions | |
| def | __init__ |
| def | get_num_restraints |
| Returns number of connectivity restraints. More... | |
| def | get_particle_pairs |
| Returns the list of connected particles pairs. More... | |
| def IMP.pmi.restraints.stereochemistry.ConnectivityRestraint.__init__ | ( | self, | |
| objects, | |||
scale = 1.0, |
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disorderedlength = False, |
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upperharmonic = True, |
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resolution = 1, |
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label = 'None' |
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| ) |
| objects | - a list of hierarchies, PMI TempResidues OR a single Molecule |
| scale | Scale the maximal distance between the beads by this factor when disorderedlength is False. The maximal distance is calculated as ((float(residuegap) + 1.0) * 3.6) * scale. |
| disorderedlength | - This flag uses either disordered length calculated for random coil peptides (True) or zero surface-to-surface distance between beads (False) as optimal distance for the sequence connectivity restraint. |
| upperharmonic | - This flag uses either harmonic (False) or upperharmonic (True) in the intra-pair connectivity restraint. |
| resolution | - The resolution to connect things at - only used if you pass PMI objects |
| label | - A string to identify this restraint in the output/stat file |
Definition at line 33 of file restraints/stereochemistry.py.
| def IMP.pmi.restraints.stereochemistry.ConnectivityRestraint.get_num_restraints | ( | self | ) |
Returns number of connectivity restraints.
Definition at line 160 of file restraints/stereochemistry.py.
| def IMP.pmi.restraints.stereochemistry.ConnectivityRestraint.get_particle_pairs | ( | self | ) |
Returns the list of connected particles pairs.
Definition at line 164 of file restraints/stereochemistry.py.