This function generates three-dimensional models starting from Hi-C data. The final analysis will be performed on the n_keep top models.
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Returns: | a TheeDeeModels object |
A container for the IMP modeling results. The container is a dictionary with the following keys:
log_objfun: The list of IMP objective function values
(from log_objfun). This value will be used to rank all the generated models
reproducibility)
represented as a list
This function plots the objective function value per each Monte-Carlo step.
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Visualize a selected model in the three dimensions.
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Save a model in the cmm format, read by Chimera (http://www.cgl.ucsf.edu/chimera).
Note: If none of model_num, models or cluster parameter are set, ALL the models will be written.
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Writes a xyz file containing the 3D coordinates of each particle in the model.
Note: If none of model_num, models or cluster parameter are set, ALL the models will be written.
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This class optimizes a set of paramaters (scale, maxdist, lowfreq and upfreq) in order to maximize the correlation between the models generated by IMP and the input data.
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Loads the optimized parameters from a file generated with the function: pytadbit.imp.impoptimizer.IMPoptimizer.write_result. This function does not overwrite the parameters that were already loaded or calculated.
Parameters: | f_name – file name with the absolute path |
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A grid of heatmaps representing the result of the optimization.
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A grid of heatmaps representing the result of the optimization.
Parameters: | axes (‘scale’,’maxdist’,’upfreq’,’lowfreq’) – tuple of axes to be represented in the plot. The order will define which parameter will be placed on the x, y, z or w axe. |
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This function calculates the correlation between the models generated by IMP and the input data for the four main IMP parameters (scale, maxdist, lowfreq and upfreq) in the given ranges of values.
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This function writes a log file of all the values tested for each parameter, and the resulting correlation value.
This file can be used to load or merge data a posteriori using the function pytadbit.imp.impoptimizer.IMPoptimizer.load_from_file
Parameters: | f_name – file name with the absolute path |
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This function generates three-dimensional models starting from Hi-C data. The final analysis will be performed on the n_keep top models.
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Returns: | the average model of a given group of models (a new and ARTIFICIAL model) |
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Returns: | the centroid model of a given group of models (the most model representative) |
Representation of the clustering results. The length of the leaves if proportional to the final objective function value of each model. The branch widths are proportional to the number of models in a given cluster (or group of clusters, if it is an internal branch).
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This function performs a clustering analysis of the generated models based on structural comparison. The result will be stored in StructuralModels.clusters
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Plots a contact map representing the frequency of interaction (defined by a distance cutoff) between two particles.
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Returns: | correlation coefficient rho, between the two matrices. A rho value greater than 0.7 indicates a very good correlation |
Defines the number of top models (based on the objective function) to keep. If keep_all is set to True in pytadbit.imp.imp_model.generate_3d_models() or in pytadbit.experiment.Experiment.model_region(), then the full set of models (n_models parameter) will be used, otherwise only the n_keep models will be available.
Parameters: | nbest – number of top models to keep (usually 20% of the generated models). |
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Plots the number of nucleotides per nm of chromatin vs the modeled region bins.
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Models are stored according to their objective function value (first best), but in order to reproduce a model, we need its initial random number. This method helps to fetch the model corresponding to a given initial random number stored under StructuralModels.models[N][‘rand_init’].
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Returns: | index of 3d model |
Returns a matrix with the number of interactions observed below a given cutoff distance.
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Returns: | matrix frequency of interaction |
Given three particles A, B and C, the angle g (angle ACB, shown below):
A
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c/ |
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B )g |b
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a\ |
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C
is given by the theorem of Al-Kashi:
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Returns: | an angle, either in degrees or radians. If all_angles is true returns a list of the angle g, h, i (see picture above) |
Computes the median distance between two particles over a set of models
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Returns: | if ‘plot’ is False, return either the full list of the calculated distances or their median value distances, either the list of distances. |
Plots the particle consistency, over a given set of models, vs the modeled region bins. The consistency is a measure of the variability (or stability) of the modeled region (the higher the consistency value, the higher stability).
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This function plots the objective function value per each Monte-Carlo step
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Saves all the models in pickle format (python object written to disk).
Parameters: | path_f – path where to save the pickle file |
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Visualize a selected model in the three dimensions.
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Plots the angle between successive loci in a given model or set of models. In order to limit the noise of the measure angle is calculated between 3 loci, between each are two other loci. E.g. in the scheme bellow, angle are calculated between loci A, D and G.
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C..........D
... ...
... ...
... ...
A..........B .E
.. .
. .
. .
. .
F...............G
Plots the dihedral angle between successive plans. A plan is formed by 3 successive loci.
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C..........D
... ...
... ...
... ...
A..........B .E
.. .
. .
. .
. .
F...............G
Save a model in the cmm format, read by Chimera (http://www.cgl.ucsf.edu/chimera).
Note: If none of model_num, models or cluster parameter are set, ALL the models will be written.
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Writes a xyz file containing the 3D coordinates of each particle in the model.
Note: If none of model_num, models or cluster parameter are set, ALL the models will be written.
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Generate 3 plots. Two heatmaps of the Z-scores used for modeling, one of which is binary showing in red Z-scores higher than upper cut-off; and in blue Z-scores lower than lower cut-off. Last plot is an histogram of the distribution of Z-scores, showing selected regions.
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