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minor tidy up for script submit_dynamut

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Tanushree Tunstall 2021-08-12 15:33:57 +01:00
parent 93fae9e5f5
commit fed8cd83a0
1 changed files with 5 additions and 14 deletions
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19
dynamut/run_submit_dynamut.py
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@ -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