Updated container's version

Dockerfile

@@ -12,8 +12,8 @@ ENV TAG_NUMBER 3.1.2
 ENV SOFT_NAME fingerprint_clustering
 
 LABEL Description="Performs unsupervised clustering and automatically determine the best number of cluster"
-LABEL software.version=$TAG_NUMBER
-LABEL version="1.2"
+LABEL software.version=3.1.2
+LABEL version=1.3
 LABEL software="FingerprintClustering"
 LABEL website="metexplore.toulouse.inra.fr"
 LABEL tags="Metabolomics"
@@ -27,5 +27,6 @@ RUN apt-get update && apt-get install -y --no-install-recommends git && apt-get
 	cd / && rm -rf $SOFT_NAME
 
 ADD runTest1.sh /usr/local/bin/runTest1.sh
+RUN chmod +x /usr/local/bin/runTest1.sh
 
 ENTRYPOINT ["Rscript", "fingerprint_clustering.R"]

README.md

@@ -1,7 +1,7 @@
 ![LOGO](images/Logo_Metexplore.png)
 # FingerprintClustering
 
-Version: 1.2
+Version: 1.3
 
 ## Short description
 Performs unsupervised clustering and automatically determine the best number of cluster
@@ -10,7 +10,7 @@ Performs unsupervised clustering and automatically determine the best number of
 Unsupervised algorithm to classify each individuals (e.g., metabolites) in a optimal number of clusters (i.e., sub-network with common chemical mecanisms). This optimum is determined automatically by the Silhouette's index (Rousseeuw, 1987). This index is based on: a) the average distance of a point to each points of its cluster, b) the average distance with each points of the closest cluster. For a given partitioning, the average width of the silhouette index is calculated on each s(i) = ( b(i) - a(i) ) / max{ a(i), b(i) }. This index vary from 1 (where the individuals are well fitted in their class) to -1 (where they are closer to another cluster). The best partition is determined by the minimum average silhouette width. This tool is part of the MetExplore's project consisting in a web server dedicated to the analysis of omics data in the context of genome scale metabolic networks (Cottret et al., 2018).
 
 ### Input files
-- a ```fingerprint``` (csv or tsv) : the first column should contains the individuals' names (e.g., identifier values to map on a network file), and the other, the variables (e.g., the individuals name in case of a a pseudo-distance matrix between metabolites among a network). Except for the first one, columns with characters values will be discarded from the analysis. "NA" values are not tolerated by the algorithms.
+- a ```fingerprint``` (csv or tsv) : the first column should contains the individuals' names, and the others, the variables (e.g., the individuals name in case of a pseudo-distance matrix between metabolites among a network). Except for the first one, columns with characters values will be discarded from the analysis. "NA" values are not tolerated by the algorithms.
 
 ### Output files
 

runTest1.sh

@@ -1,6 +1,6 @@
 #!/bin/bash
 #
-#Script used to perform unitary tests on pathway enrichment tool
+#Script used to perform unitary tests on fingerprint clustering tool
 #
 #Author: E. CAMENEN
 #