Small changes in Dockerfile and Singularityfile.sh.

Dockerfile

@@ -114,5 +114,5 @@ RUN pip3 install https://github.com/debbiemarkslab/EVcouplings/archive/develop.z
 
 #If you want to use the docker image like an executable file:
 # Please note that you must have aliBLAT.fasta and blat-af2.pdb inside your current folder and run this command!
-# sudo docker run --rm -v $PWD:/home/tekpinar/research/lcqb tekpinar/prescott-docker:v1.5.0 escott aliBLAT.fasta -f aliBLAT.fasta --pdbfile  blat-af2.pdb
+# sudo docker run --rm -v $PWD:/home/tekpinar/research/lcqb tekpinar/prescott-docker:v1.5.0 escott aliBLAT.fasta --pdbfile blat-af2.pdb
 

Singularityfile.sh

@@ -12,16 +12,18 @@
 #        In addition, there are different releases(deb, rpm or source) in the following page:
 #        https://github.com/sylabs/singularity/releases
 
-#STEP 1: Building singularity sandbox from the docker image online:
+#STEP 1: Building singularity from the docker image online:
 #        Please note that you will need to change (v1.5.0) to the version you want
 #        if there is an update in the version. 
-singularity build --sandbox prescott-docker-v1.5.0 docker://tekpinar/prescott-docker:v1.5.0
+singularity build prescott-docker-v1.5.0.sif docker://tekpinar/prescott-docker:v1.5.0
 
-#STEP 2: Converting the folder to a single sif file:
-singularity build prescott-docker-v1.5.0.sif prescott-docker-v1.5.0
-
-#STEP 3: Running escott with the sif file:
+#STEP 2: Running escott with the sif file:
 singularity exec prescott-docker-v1.5.0.sif escott -h
 
-#STEP 4: Running prescott with the sif file:
+#STEP 3: Running prescott with the sif file:
 singularity exec prescott-docker-v1.5.0.sif prescott -h
+
+#STEP 4: Go to the folder where both aliBLAT.fasta and blat-af2.pdb are located.
+#        These two files are provided in the data folder of this repository.
+#        YOUR_SINGULARITY_DIR is where prescott-docker-v1.5.0.sif file located. 
+singularity exec --home `pwd` $YOUR_SINGULARITY_DIR/prescott-docker-v1.5.0.sif escott aliBLAT.fasta --pdbfile blat-af2.pdb