Utilization

There is 2 ways to use PBxplore:
  • command-line scripts
  • API

Command-line scripts

PBxplore is bundle with a suite of command-line tools. Once installed, they should be available in your $PATH. Here the list:

  • PBassign assign Protein Blocks (PBs) from a set of protein structures.
  • PBcount computes the frequency of PBs at each position along the amino acid sequence.
  • PBstat generates frequency and logo plots, and estimates the Neq.
  • PBclust use clustering algorithm (k-means) to re-group similar PBs sequences.

API

PBxplore is also a python library and provides an API to interfacing with Python applications. You will find here a list of notebooks to help you use the API.

Demo files

PBxplore provides scripts to demonstrate its functionalities. These scripts guide the user through the different command line tools of PBxplore.

3 demonstration scripts are available:

  • run_demo1_assignation.sh demonstrates the how to use PBassign to assign Protein Block sequences to protein structures;
  • run_demo2_statistics.sh demonstrates how to analyse protein dynamics using PBxplore;
  • finally, run_demo2_clusters.sh demonstrates how to use PBclust to cluster Protein Block sequences.

In addition to the scripts, PBxplore bundles input files to test and get accustom with the software and the python library. Call the PBdata program to display where these files are stored. With the –list and –list-abs arguments PBdata list the available name and absolute path, respectively.