I have been working with a very large text file manually. I'm ordering how to do this with a script. The gamma should be straightforward:
I just want split the text into multiple files. The file name should be "CP1", "TS1 for the second step", "PR1 for the product", stored as a single word or
a sentence without a clear pattern. However, the text 'coordinates' is in a strict format, that is Capital Letter "name of element", followed by three float numbers, given 4 exactly four columns in total. Any suggestion or comment would be greatly appreciated! Thanks!!
Zhen
Code:
CP1
Ir -0.77842700 -2.00617700 -0.99311000
C 0.10419200 -3.27273900 -0.26241700
N 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
TS1 for the second step
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
O 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
PR1 for the product
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
S 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
The output should be three sperated files:
cat "CP1"
Code:
Ir -0.77842700 -2.00617700 -0.99311000
C 0.10419200 -3.27273900 -0.26241700
N 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
cat "TS1 for the second step"
Code:
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
O 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
cat "PR1 for the product"
Code:
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
S 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
Last edited by jim mcnamara; 03-31-2018 at 11:39 PM..
I have been working with a very large text file manually. I'm ordering how to do this with a script. The gamma should be straightforward:
I just want split the text into multiple files. The file name should be "CP1", "TS1 for the second step", "PR1 for the product", stored as a single word or
a sentence without a clear pattern. However, the text 'coordinates' is in a strict format, that is Capital Letter "name of element", followed by three float numbers, given 4 exactly four columns in total. Any suggestion or comment would be greatly appreciated! Thanks!!
Zhen
Code:
CP1
Ir -0.77842700 -2.00617700 -0.99311000
C 0.10419200 -3.27273900 -0.26241700
N 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
TS1 for the second step
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
O 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
PR1 for the product
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
S 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
The output should be three sperated files:
cat "CP1"
Code:
Ir -0.77842700 -2.00617700 -0.99311000
C 0.10419200 -3.27273900 -0.26241700
N 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
cat "TS1 for the second step"
Code:
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
O 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
cat "PR1 for the product"
Code:
Ir -0.77842700 -2.00617700 -0.99311000
H 0.10419200 -3.27273900 -0.26241700
S 0.20297200 -2.01968800 -2.23710000
H -1.68935400 -0.88975000 -1.81955400
P 0.43760100 -0.44588500 -0.07461300
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03-31-2018
