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ran mcsm_na for all 26 batches for gid

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This commit is contained in:
Tanushree Tunstall 2021-02-16 13:55:31 +00:00
parent 013bba2503
commit cd06a83e13
2 changed files with 12 additions and 5 deletions
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8
mcsm_na/run_get_results.py
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@ -21,8 +21,12 @@ datadir = homedir + '/git/Data'
indir = datadir + '/' + drug + '/input' indir = datadir + '/' + drug + '/input'
outdir = datadir + '/' + drug + '/output' outdir = datadir + '/' + drug + '/output'
#==============================================================================
# batch 26: 25.txt, RETRIEVED: 16 Feb:
my_url_file = outdir + '/mcsm_na_temp/mcsm_na_result_url_gid_b26.txt'
my_suffix = 'gid_b26'
#==============================================================================
#========================== #==========================
# CALL: get_results() # CALL: get_results()
@ -34,4 +38,4 @@ get_results(url_file = my_url_file
, host_url = my_host , host_url = my_host
, output_dir = outdir , output_dir = outdir
, outfile_suffix = my_suffix) , outfile_suffix = my_suffix)
#%%##################################################################### #%%#####################################################################

9
mcsm_na/run_submit.py
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@ -25,10 +25,13 @@ outdir = datadir + '/' + drug + '/output'
my_nuc_type = 'RNA' my_nuc_type = 'RNA'
my_pdb_file = indir + '/gid_complex.pdb' my_pdb_file = indir + '/gid_complex.pdb'
#============================================================================= #=============================================================================
# batch 6: 05.txt # RAN: 15 Feb: 16:43 # batch 26: 25.txt # RAN: 16 Feb:
my_mutation_list = outdir + '/snp_batches/20/snp_batch_05.txt' my_mutation_list = outdir + '/snp_batches/20/snp_batch_25.txt'
my_suffix = 'gid_b6' my_suffix = 'gid_b26'
#==============================================================================
#========================== #==========================
# CALL: submit_mcsm_na() # CALL: submit_mcsm_na()
# Data: gid+streptomycin # Data: gid+streptomycin