Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Public Member Functions | |
def | get_the_list_with_signed_scores (self, ref_contacts, sorted_contacts_counts_map) |
Returns a list of contact signed scores in the order of decreasing contact score (by magnitude) For instance, L = [100, -75, 50] ;sign is ignored while rearranging. More... | |
def | plot_contacts_counts (self, fstring_prefix, sorted_contacts_counts_map, list_contacts_signed_scores, verbose) |
Plots Contact scores (barchart) with contacts placed on x-axis If reference contacts are known, Score is replaced by a signed score when positive score signifies a true contact and negative score signifies a false contact (w.r.t to the reference contacts) More... | |
def | get_coverage_score_tuple (self, protein_neighbor_detection_triple_map) |
Takes a map and return number of false, true and missed contacts and the normalized coverage score. More... | |
def | compute_and_get_contacts_stats (self, set_of_solutions, ofname, verbose) |
This function computes the stats for a set of solutions - either union of solutions or consensus solutions A function that returns sensitivity, specificity and coverage of solutions w.r.t to the reference contacts ref contacts positives, P = ref \cap possible_contacts missed, M = ref \ P negatives, N = possible_contacts \ P for each solution: More... | |
def | plot_and_dump_contact_stats (self, mci_solution_object, fout_prefix, verbose) |
separate solution is given to be able to plot contact counts separately for all solutions, consensus solutions and post-bootstrap solutions More... | |
A class to analyze the solutions of a connectivity inference problem.
This class performs analysis and plots statistics. Gnuplot is used for plotting.
To use Gnuplot with SAGE , download gnuplotpy-<version>.spkg from http://sagemath.org/packages/optional/ and install.
Here is an example to set the preamble of any gnuplot plot: setting the labels (x-axis, y-axis), the tics (x and y), and name of the output file
opts='[gnuplot_preamble, "set xtics 1"],[gnuplot_term, ps],[gnuplot_out_file, "%s"],[style,points],[xlabel, "Contacts"],[ylabel,"Counts"]'%(of_name)
Plot using the previous preamble:
maxima.plot_list(xlist, ylist,opts)
def compute_and_get_contacts_stats | ( | self, | |
set_of_solutions, | |||
ofname, | |||
verbose | |||
) |
This function computes the stats for a set of solutions - either union of solutions or consensus solutions A function that returns sensitivity, specificity and coverage of solutions w.r.t to the reference contacts ref contacts positives, P = ref \cap possible_contacts missed, M = ref \ P negatives, N = possible_contacts \ P for each solution:
tp = ref \cap solution_contacts fp = solution_contacts \ tp for loop ends
TP = union of all tps; FN = P - TP FP = union of all fps; TN = N - FP
sensitivity = TP/P specificity = TN/N = (N-FP)/N coverage = (TP - (FP+FN))/((TP+FN)*1.0)
def get_coverage_score_tuple | ( | self, | |
protein_neighbor_detection_triple_map | |||
) |
Takes a map and return number of false, true and missed contacts and the normalized coverage score.
def get_the_list_with_signed_scores | ( | self, | |
ref_contacts, | |||
sorted_contacts_counts_map | |||
) |
Returns a list of contact signed scores in the order of decreasing contact score (by magnitude) For instance, L = [100, -75, 50] ;sign is ignored while rearranging.
def plot_and_dump_contact_stats | ( | self, | |
mci_solution_object, | |||
fout_prefix, | |||
verbose | |||
) |
separate solution is given to be able to plot contact counts separately for all solutions, consensus solutions and post-bootstrap solutions
def plot_contacts_counts | ( | self, | |
fstring_prefix, | |||
sorted_contacts_counts_map, | |||
list_contacts_signed_scores, | |||
verbose | |||
) |
Plots Contact scores (barchart) with contacts placed on x-axis If reference contacts are known, Score is replaced by a signed score when positive score signifies a true contact and negative score signifies a false contact (w.r.t to the reference contacts)