<su...@aol.com> wrote in message news:d08.50baad3e.36f80...@aol.com...
I've been using re.sub() to try and take the below pattern1 and convert it
to
pattern2 (which are below) below that is mycode1. Does anyone have any
suggestions as to how I can figure this out?
pattern1
NTR+A0001 0.01
GLU-A0003 8.21
GLU-A0008 3.619
ARG+A0010 14
[snip lots of data]
pattern2
pKaRes NTR 1 A,value= 0.01
pKaRes GLU 3 A,value= 8.21
pKaRes GLU 8 A,value= 3.619
pKaRes ARG 10 A,value= 14
Since everything appears to be in a fixed column, given a single line from
above, this will convert it (no re required):
print 'pKaRes %s %d %s,value= %s' %
(line[:3],int(line[5:9]),line[4],line[10:])
-Mark
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