I need to find a phrase in i text file in order to read a unique text
string into a python3 application.
I have become stuck and Google has not been of any use.
Here is my attempt:
#!/usr/bin/env python3
# -*- coding: utf-8 -*-
#
# Extract.Data.py
#
#
#
# "
import re
name = input("Enter Molecule Name: ")
name_in = name+'_apo-1acl.dlg'
re.search("RMSD TABLE",name_in())
and here is the portion of the text file (Acetyl_apo-1acl.dlg)
containing the information:
________________________________________________________________________________
| | | | |
Clus | Lowest | Run | Mean | Num | Histogram
-ter | Binding | | Binding | in |
Rank | Energy | | Energy | Clus| 5 10 15 20 25 30 35
_____|___________|_____|___________|_____|____:____|____:____|____:____|____:___
1 | -4.39 | 15 | -4.29 | 2 |##
2 | -4.38 | 13 | -4.27 | 6 |######
3 | -4.29 | 11 | -4.15 | 10 |##########
4 | -3.90 | 9 | -3.90 | 2 |##
_____|___________|_____|___________|_____|______________________________________
Number of multi-member conformational clusters found = 4, out of 20 runs.
RMSD TABLE
__________
_____________________________________________________________________
| | | | | |
Rank | Sub- | Run | Binding | Cluster | Reference | Grep
| Rank | | Energy | RMSD | RMSD | Pattern
_____|______|______|___________|_________|_________________|___________
1 1 15 -4.39 0.00 92.25 RANKING
1 2 17 -4.19 0.99 92.15 RANKING
2 1 13 -4.38 0.00 93.14 RANKING
2 2 6 -4.37 1.21 92.80 RANKING
2 3 18 -4.35 0.87 93.26 RANKING
2 4 5 -4.33 1.23 92.85 RANKING
2 5 3 -4.17 1.17 93.40 RANKING
2 6 7 -3.99 1.33 92.98 RANKING
3 1 11 -4.29 0.00 91.37 RANKING
3 2 19 -4.29 0.31 91.27 RANKING
3 3 16 -4.25 1.08 91.14 RANKING
3 4 10 -4.25 0.86 91.13 RANKING
3 5 1 -4.13 0.94 91.83 RANKING
3 6 20 -4.11 1.03 91.89 RANKING
3 7 12 -4.11 0.60 91.28 RANKING
3 8 2 -4.10 0.86 91.56 RANKING
3 9 8 -4.09 0.73 91.52 RANKING
3 10 4 -3.89 1.24 91.91 RANKING
4 1 9 -3.90 0.00 95.00 RANKING
4 2 14 -3.90 0.92 94.92 RANKING
_______________________________________________________________________
INFORMATION ENTROPY ANALYSIS FOR THIS CLUSTERING
________________________________________________
Information entropy for this clustering = 0.39 (rmstol = 2.00 Angstrom)
Everything that I have tried returns 'TypeError: 'str' object is not
callable'.
Assistance will be much appreciated.
Thanks in advance.
--
Stephen P. Molnar, Ph.D. Life is a fuzzy set
http://www.Molecular-Modeling.net Multivariate and stochastic
614.312.7528 (c)
Skype: smolnar1
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