tanu/LSHTM_analysis
1
0
Fork 0
Code Issues Pull requests Releases Wiki Activity

minor tidy up for script submit_dynamut

Browse source
This commit is contained in:
Tanushree Tunstall 2021-08-12 15:33:57 +01:00
parent a641347f63
commit 3086972480
1 changed files with 5 additions and 14 deletions
Download patch file Download diff file Expand all files Collapse all files

19
dynamut/run_submit_dynamut.py
View file

@ -30,16 +30,6 @@ my_email = 'tanushree.tunstall@lshtm.ac.uk'
#my_pdb_file = indir + 'gid_complex.pdb' #my_pdb_file = indir + 'gid_complex.pdb'
my_pdb_file = indir + gene + '_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! # 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_mutation_list = outdir + 'snp_batches/50/snp_batch_07.txt'
my_suffix = 'gid_b7' my_suffix = 'gid_b7'
@ -50,10 +40,11 @@ my_suffix = 'gid_b7'
# Data: gid+streptomycin # Data: gid+streptomycin
#========================== #==========================
print('\nSubmitting batch for:' print('\nSubmitting batch for:'
, '\ndrug: ' , drug , '\nFilename : ' , my_mutation_list
, '\ngene: ' , gene , '\nbatch : ' , my_suffix
, '\nbatch: ' , my_suffix , '\ndrug : ' , drug
, '\n\nFilename: ' , my_mutation_list) , '\ngene : ' , gene
, '\npdb file : ' , my_pdb_file)
submit_dynamut(host_url = my_host submit_dynamut(host_url = my_host
, pdb_file = my_pdb_file , pdb_file = my_pdb_file