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ran mcsm_na for rpob's RNAP complex i.e 5UHC

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Tanushree Tunstall 2021-11-19 07:48:42 +00:00
parent cee10cc540
commit 2925c89d11
7 changed files with 13 additions and 12 deletions
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12
mcsm_na/run_submit_mcsm_na.py
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@ -18,14 +18,14 @@ print(my_prediction_url)
# TODO: add cmd line args
#gene = 'gid'
drug = 'streptomycin'
datadir = homedir + '/git/Data'
indir = datadir + '/' + drug + '/input'
outdir = datadir + '/' + drug + '/output'
outdir_mcsm_na = outdir + 'mcsm_na_results'
drug = ''
datadir = homedir + '/git/Data/'
indir = datadir + drug + 'input/'
outdir = datadir + drug + 'output/'
outdir_mcsm_na = outdir + 'mcsm_na_results/'
my_nuc_type = 'RNA'
my_pdb_file = indir + '/gid_complex.pdb'
my_pdb_file = indir + gene.lower() + '_complex.pdb'
#=============================================================================
# batch 26: 25.txt # RAN: 16 Feb: