Commit f98b9cb1 by Mustafa Tekpinar

Updated the Dockerfile for scikit-learn in prescott.py.

parent 50abe3b4
...@@ -78,6 +78,7 @@ RUN rm -f hhsuite-3.3.0-AVX2-Linux.tar.gz ...@@ -78,6 +78,7 @@ RUN rm -f hhsuite-3.3.0-AVX2-Linux.tar.gz
WORKDIR /home/tekpinar/research/lcqb WORKDIR /home/tekpinar/research/lcqb
RUN sed -i s#/home/tekpinar/research/lcqb/JET2/matrix#/usr/local/JET2/matrix#g ./PRESCOTT/prescott/default.conf RUN sed -i s#/home/tekpinar/research/lcqb/JET2/matrix#/usr/local/JET2/matrix#g ./PRESCOTT/prescott/default.conf
RUN sed -i s#/home/tekpinar/research/lcqb/naccess2.1.1/naccess#/usr/local/naccess2.1.1/naccess#g ./PRESCOTT/prescott/default.conf RUN sed -i s#/home/tekpinar/research/lcqb/naccess2.1.1/naccess#/usr/local/naccess2.1.1/naccess#g ./PRESCOTT/prescott/default.conf
RUN pip3 install scikit-learn
RUN pip3 install ./PRESCOTT/ RUN pip3 install ./PRESCOTT/
RUN pip3 install -e ./demust/ RUN pip3 install -e ./demust/
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...@@ -54,17 +54,7 @@ escott --help ...@@ -54,17 +54,7 @@ escott --help
By default, ESCOTT will predict the effect of all possible single mutations at all positions in the By default, ESCOTT will predict the effect of all possible single mutations at all positions in the
query sequence. Alternatively, a set of single or multiple mutations can be given with the option -m. query sequence. Alternatively, a set of single or multiple mutations can be given with the option -m.
Each line of the file should contain a mutation (e.g. D136R) or combination of mutations separated Each line of the file should contain a mutation (e.g. D136R) or combination of mutations separated
by commas (or colons) and ordered according to their positions in the sequence (e.g. D136R,V271A). by colons and ordered according to their positions in the sequence (e.g. D136R,V271A).
GEMME calls JET2 to compute evolutionary conservation levels. By default, JET2 will retrieve a set
of sequences related to the query, independent from the input set, according to specific criteria.
The retrieval method used in JET2 is PSI-BLAST, which can perform the search either locally (by
default) or remotely (-r server). Alternatively, the user can provide her/his own psiblast file
(-r input-b pFile) or her/his own multiple sequence alignment in FASTA format (-r input -f fFile).
JET is run in its iterative mode, iJET, 10 times and the final conservation levels are the maxium
values obtained over the 10 iterations.
JET2 configuration file is: default.conf.
JET2 output file is: myProt_jet.res.
### Running the prescott program ### Running the prescott program
A quick help can be accessed by typing A quick help can be accessed by typing
...@@ -77,7 +67,7 @@ prescott -e ../data/MLH1_normPred_evolCombi.txt -g ../data/gnomAD_v2.1.1_MLH1_HU ...@@ -77,7 +67,7 @@ prescott -e ../data/MLH1_normPred_evolCombi.txt -g ../data/gnomAD_v2.1.1_MLH1_HU
``` ```
The most important output is prescott-scores.txt file, which produces frequecy modified scores for the mutations. The most important output is prescott-scores.txt file, which produces frequecy modified scores for the mutations.
Please note that the example input files are in the data directory of this repository. Please note that the example input files for prescott are in the data directory of this repository.
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