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.