[Tutor] A Multiple Concatenation Problem

Stephen P. Molnar s.molnar at sbcglobal.net
Sat Sep 19 14:52:31 EDT 2020


Thanks to help I've received from folks on this list I have gotten to a 
place where I am well land truly stuck.

In a modeling problem that I have, I have a list of 31 ligands to which 
I wish to attach a suffix . i.log where I runs from 1 to 10.

The list begins:

2-Phloroeckol

7-Phloroeckol plus 29 more names

The script, so far, is:


filename = 'Ligand.list'
file = open(filename,mode='r')
text = file.read()
file.close()

for suf in range(1, 11):
     filename = f"{text}.{suf}.log"

The result is:

a list of the 32 ligands
a blank line
.10.log

Eventually in the script I'll get to a point where I use:

data = np.genfromtxt(fname, skip_header=28)
Affinity = (data[0, 1])

Which is exactly what I need to proceed further with the modeling.

However, until I get the correct output from the first portion of the 
script I can get no further. I'm sure that I have missed something 
fundamental, but I can't faind any references to a solution to the 
problem. Quite frankly, I'm more that a bit embarrassed at this point.

Thanks in advance.

-- 
Stephen P. Molnar, Ph.D.
www.molecular-modeling.net
614.312.7528 (c)
Skype:  smolnar1



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