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sunmitting mcsm_na jobs manually

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This commit is contained in:
Tanushree Tunstall 2021-02-16 10:51:06 +00:00
parent b69d9d729a
commit 013bba2503
2 changed files with 6 additions and 14 deletions
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5
mcsm_na/run_get_results.py
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@ -21,9 +21,8 @@ datadir = homedir + '/git/Data'
indir = datadir + '/' + drug + '/input'
outdir = datadir + '/' + drug + '/output'
# batch 1: 00.txt
my_url_file = outdir + '/mcsm_na_temp/mcsm_na_result_url_gid_b1.txt'
my_suffix = 'gid_b1'
#==========================
# CALL: get_results()

15
mcsm_na/run_submit.py
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@ -25,17 +25,10 @@ outdir = datadir + '/' + drug + '/output'
my_nuc_type = 'RNA'
my_pdb_file = indir + '/gid_complex.pdb'
# batch 1: 00.txt: # RAN: 11 Feb, ~17:37, RETRIEVED: 15 Feb~ 12:18
#my_mutation_list = outdir + '/snp_batches/20/snp_batch_00.txt'
#my_suffix = 'gid_b1'
# batch 2: 01.txt
my_mutation_list = outdir + '/snp_batches/20/snp_batch_01.txt'
my_suffix = 'gid_b2'
# RAN: 15 Feb: 12:18
#=============================================================================
# batch 6: 05.txt # RAN: 15 Feb: 16:43
my_mutation_list = outdir + '/snp_batches/20/snp_batch_05.txt'
my_suffix = 'gid_b6'
#==========================
# CALL: submit_mcsm_na()
# Data: gid+streptomycin