localCIDER

localCIDER is the Python backend for CIDER developed by the Pappu lab at Washington University in St. Louis.

For more information please see the documentation.

localCIDER was written by Alex Holehouse and James Ahad in the Pappu Lab.

While Alex has since left the Pappu lab, he continues to maintain localCIDER - for now, please address all questions to him.

Nardini

To perform Nardini-related analysis via a localCIDER SequenceParameter object, the following example is illustrative:

from localcider.sequenceParameters import SequenceParameters
from nardini.constants import TYPEALL, TYPEALL_9x9

# create a SequenceParameters object with your amino acid sequence
SeqObj = SequenceParameters('YOURSEQUENCEHERE')

# `num_scrambles`, `typeall`, and `random_seed` are optional arguments. Shown
# below are their default values.
SeqObj.save_zscoresAndPlots(num_scrambles=100000, typeall=TYPEALL, random_seed=None)

An interface for setting a random seed is provided for reproducibility. If no random seed is provided, one will be chosen and reported to the user. As analysis proceeds, the progress will be printed to the user in the command-line or Jupyter notebook. Upon completion, the generated plots (PNGs) as well as a zip file containing TSVs of the parameters as well as matrix representations of the plots will be exported.

The function save_zscoresAndPlots encapsulates several methods from the Nardini package into a user-friendly entry point for subsequent analysis. A complementary shell-interface (nardini) is also made available when the Nardini package is installed which can be paired with this method. To learn more, run nardini -h from the command-line or visit the Github repository for Nardini for more details.

In addition to save_zscoresAndPlots, LocalCIDER also integrates a couple other Nardini-based methods. All three methods are detailed below:

LocalCIDER Nardini Function	Parameters	Description
save_zscoresAndPlots	num_scrambles=100000, typeall=TYPEALL, random_seed=None	Calculates the Nardini z-score of the input sequences and generates a ZIP file containing the Nardini analysis (TSV and CSV) as well as accompanying plots.
calculate_zscore	num_scrambles=100000, typeall=TYPEALL, random_seed=None	This function performs the Nardini z-score analysis and returns a 5-item dictionary containing: 1) the original sequence; 2) the scrambled sequence; 3) the sequence number (used for book-keeping for many sequences); 4) the reshaped_zvecdb corresponding to the original sequence; and, 5) the reshaped_zvecdbscr corresponding to the scrambled sequences.
plot_nardini_zscores	seq_name, zvec_db, typeall, index, savename, is_scrambled	This function generates a ZIP file containing plots of the Nardini analysis. Parameters: seq_name (the name of the sequence); zvec_db (the numpy array corresponding to the zscore-vector used for calculations); typeall (the amino acid types used for the analysis contained within zvec_db); index (the index of seq_name in the zvec_db); savename (the base filename under which to save the plots); and, is_scrambled (a boolean that indicates whether or not the matrix corresponds to the scrambled sequence analysis).

It should be noted that:

1. save_zscoreAndPlots is a convenience function which performs and exports the Nardini analysis in a single step. This method call produces a ZIP file that will contain the file sequences.tsv (the sequences analyzed). For every sequence contained within the input file, 4 additional files will also be generated and included in the ZIP file: regular-<seq_name>.png (the plot of the Nardini matrix of the original sequence); scrambled-<seq_name>.png (the plot of the Nardini matrix of the closest matching scrambled sequence); zscore-original-sequence-<seq_name>.tsv (the text file corresponding to the z-score matrix of the original sequence); and, zscore-scrambled-sequence-<seq_name>.tsv (the text file corresponding to the z-score matrix of the scrambled sequence). Contextually, this function encapsulates the functions of items 2 and 3 while also exporting them into a ZIP file.
2. calculate_zscore is meant for performing the Nardini analysis and using the output in another method. A Python dictionary is returned containing the relevant matrices and objects. No plots are generated.
3. plot_nardini_zscores is meant for plotting and saving images of the Nardini analysis (i.e. matrices) that were previously generated.

Running tests

Before committing changes please run tests as

cd localcider/tests
python runtests.py

Note that subsets of tests can be run by editing runtests.py as needed.

Alternatively one can run

pytest -vv

To run all tests