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@@ -3,15 +3,18 @@ Make sure your current directory is projet_court_nz
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Environment
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1 - Recreate the conda environment with the config_projet.yml file avaible in the src repository
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- $ conda env create -f src/config_projet.yml
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+ $ conda env create -f src/environment.yml
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2 - Activate the generated environment
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$ conda activate projet-court
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toy-example:
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md.pdb contains structural information of 501 conformations of the calf-1 domain
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-3 - try the program on md.pdb
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- $ python3 src/projet8 data/md.pdb
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+3 - try the program by parsing the md.pdb sequences into 4 cluster
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+ $ python3 src/projet8.py data/md.pdb 4
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+ $ python3 src/projet8.py [.pdbfile] [number of desired clusters]
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+Results are generated in the results folder
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Informations:
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