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

adding options to specify files by user

Browse source
This commit is contained in:
Tanushree Tunstall 2020-11-27 13:02:15 +00:00
parent 50744f046f
commit a7d7bceb00
2 changed files with 43 additions and 15 deletions
Download patch file Download diff file Expand all files Collapse all files

5
scripts/mut_electrostatic_changes.py
View file

@ -39,7 +39,7 @@ arg_parser.add_argument('--datadir', help = 'Data Directory. By default, it assm
arg_parser.add_argument('-i', '--input_dir', help = 'Input dir containing pdb files. By default, it assmumes homedir + <drug> + input')
arg_parser.add_argument('-o', '--output_dir', help = 'Output dir for results. By default, it assmes homedir + <drug> + output')
arg_parser.add_argument('--debug', action ='store_true', help = 'Debug Mode')
arg_parser.add_argument('--debug', action ='store_true', help = 'Debug Mode') # not used atm
args = arg_parser.parse_args()
#%% variable assignment: input and output
@ -68,7 +68,8 @@ if not outdir:
#=======
# input
#=======
in_filename = 'merged_df3.csv'
#in_filename = 'merged_df3.csv'
in_filename = gene.lower() + '_complex_mcsm_norm.csv'
infile_merged_df3 = outdir + '/' + in_filename
print('Input file: ', infile_merged_df3
, '\n============================================================')