IMP Reference Guide
2.14.0
The Integrative Modeling Platform
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Class to do Monte Carlo sampling by using as the set of movements relative positions between rigid bodies. More...
Class to do Monte Carlo sampling by using as the set of movements relative positions between rigid bodies.
Definition at line 42 of file monte_carlo.py.
Public Member Functions | |
def | run_monte_carlo |
Run MonteCarlo sampling to generate possible states for DOMINO. More... | |
def | run_monte_carlo_with_relative_movers |
Run MonteCarlo sampling to generate possible states for DOMINO. More... | |
def | set_relative_movers |
Generate the relative models form the transforms. More... | |
def | set_scoring_function |
Set the scoring function to be used by MonteCarlo. More... | |
def | set_temperature_pattern |
Set the temperature pattern to use during the Monte Carlo optimizations. More... | |
def IMP.EMageFit.monte_carlo.MonteCarloRelativeMoves.run_monte_carlo | ( | self | ) |
Run MonteCarlo sampling to generate possible states for DOMINO.
Definition at line 151 of file monte_carlo.py.
def IMP.EMageFit.monte_carlo.MonteCarloRelativeMoves.run_monte_carlo_with_relative_movers | ( | self | ) |
Run MonteCarlo sampling to generate possible states for DOMINO.
Definition at line 176 of file monte_carlo.py.
def IMP.EMageFit.monte_carlo.MonteCarloRelativeMoves.set_relative_movers | ( | self, | |
max_translation, | |||
max_rotation | |||
) |
Generate the relative models form the transforms.
The transforms is a list with triplets [id1, id2, transform_file]
max_translation | Maximum translation distance allowed for the moves |
max_rotation | Maximum rotation angle allowed for the moves |
Definition at line 94 of file monte_carlo.py.
def IMP.EMageFit.monte_carlo.MonteCarloRelativeMoves.set_scoring_function | ( | self, | |
scoring_function | |||
) |
Set the scoring function to be used by MonteCarlo.
Definition at line 147 of file monte_carlo.py.
def IMP.EMageFit.monte_carlo.MonteCarloRelativeMoves.set_temperature_pattern | ( | self, | |
temperatures, | |||
iterations, | |||
cycles | |||
) |
Set the temperature pattern to use during the Monte Carlo optimizations.
temperatures | List of temperature values |
iterations | List with the iterations to do for each of the temperatures. |
cycles | Number of repetitions of the pattern of temperatures and iterations |
Definition at line 69 of file monte_carlo.py.