From fed8cd83a0c1268b6ead1a47f19e557f50abfccb Mon Sep 17 00:00:00 2001 From: Tanushree Tunstall Date: Thu, 12 Aug 2021 15:33:57 +0100 Subject: [PATCH] minor tidy up for script submit_dynamut --- dynamut/run_submit_dynamut.py | 19 +++++-------------- 1 file changed, 5 insertions(+), 14 deletions(-) diff --git a/dynamut/run_submit_dynamut.py b/dynamut/run_submit_dynamut.py index 65460b2..32105d9 100755 --- a/dynamut/run_submit_dynamut.py +++ b/dynamut/run_submit_dynamut.py @@ -30,16 +30,6 @@ my_email = 'tanushree.tunstall@lshtm.ac.uk' #my_pdb_file = indir + 'gid_complex.pdb' my_pdb_file = indir + gene + '_complex.pdb' #============================================================================== -# batch 7: 07.txt, # RAN: 22 Feb 09:26 -#my_mutation_list = outdir + '/snp_batches/50/snp_batch_07.txt' -#my_suffix = 'gid_b7' - -# batch 8: 08.txt, # RAN: 22 Feb 09:26 -#my_mutation_list = outdir + '/snp_batches/50/snp_batch_08.txt' -#my_suffix = 'gid_b8' - -# batch 9 and 10 failed! -# bissecting: b10, split into 5 (1st failed, 2nd worked, but then comb rest) # Rerunnig batch 7: 07.txt, # RAN: 12 Aug 15:22, 0 bytes file from previous run! my_mutation_list = outdir + 'snp_batches/50/snp_batch_07.txt' my_suffix = 'gid_b7' @@ -50,10 +40,11 @@ my_suffix = 'gid_b7' # Data: gid+streptomycin #========================== print('\nSubmitting batch for:' - , '\ndrug: ' , drug - , '\ngene: ' , gene - , '\nbatch: ' , my_suffix - , '\n\nFilename: ' , my_mutation_list) + , '\nFilename : ' , my_mutation_list + , '\nbatch : ' , my_suffix + , '\ndrug : ' , drug + , '\ngene : ' , gene + , '\npdb file : ' , my_pdb_file) submit_dynamut(host_url = my_host , pdb_file = my_pdb_file