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code to retrieve results from batch 4 and 5 once ready

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Tanushree Tunstall 2021-02-19 12:09:26 +00:00
parent f9249d7bf2
commit 2995299179
2 changed files with 12 additions and 5 deletions
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9
dynamut/run_get_results_dynamut.py
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@ -24,10 +24,13 @@ indir = datadir + '/' + drug + '/input'
outdir = datadir + '/' + drug + '/output' outdir = datadir + '/' + drug + '/output'
#============================================================================== #==============================================================================
# batch 3: 02.txt, # RETRIEVED 18 Feb # batch 4: 03.txt, # RETRIEVED
my_url_file = outdir + '/dynamut_temp/dynamut_result_url_gid_b3.txt' my_url_file = outdir + '/dynamut_temp/dynamut_result_url_gid_b4.txt'
my_suffix = 'gid_b3' my_suffix = 'gid_b4'
# batch 5: 04.txt, # RETRIEVED
#my_url_file = outdir + '/dynamut_temp/dynamut_result_url_gid_b5.txt'
#my_suffix = 'gid_b5'
#============================================================================== #==============================================================================
#========================== #==========================

8
dynamut/run_submit_dynamut.py
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@ -29,9 +29,13 @@ my_email = 'tanushree.tunstall@lshtm.ac.uk'
my_pdb_file = indir + '/gid_complex.pdb' my_pdb_file = indir + '/gid_complex.pdb'
#============================================================================== #==============================================================================
# batch 4: 03.txt, # RAN: 18 Feb, ~11:19
#my_mutation_list = outdir + '/snp_batches/50/snp_batch_03.txt'
#my_suffix = 'gid_b4'
# batch 5: 04.txt, # RAN: 18 Feb, ~11:21 # batch 5: 04.txt, # RAN: 18 Feb, ~11:21
my_mutation_list = outdir + '/snp_batches/50/snp_batch_04.txt' #my_mutation_list = outdir + '/snp_batches/50/snp_batch_04.txt'
my_suffix = 'gid_b5' #my_suffix = 'gid_b5'
#============================================================================== #==============================================================================
#========================== #==========================