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adding commands for use of pdbtools

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This commit is contained in:
Tanushree Tunstall 2020-05-12 12:50:49 +01:00
parent 1d84846789
commit 5ac87e76c7
2 changed files with 11 additions and 2 deletions
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4
scripts/data_extraction.py
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@ -54,8 +54,8 @@ arg_parser.add_argument('-g', '--gene', help='gene name (case sensitive)', defau
args = arg_parser.parse_args()
#=======================================================================
#%% variable assignment: input and output paths & filenames
drug = 'cycloserine'
gene = 'alr'
#drug =
#gene = '
drug = args.drug
gene = args.gene