read file with multiple data per line
Eduardo
edumlopes at gmail.com
Tue Apr 14 03:15:18 EDT 2009
Hello all,
I googled a lot but couldn't find anything that i could consider a
possible solution (though i am fairly new to the language and i think
this is the main cause of my failure).
This is the beginning of the file i have to parse:
Modified System
32728
2NHST1 C1 56 3.263 2.528 16.345
and this is the end:
3.6539 6.4644 20.0000
This line has 7 formatted fields [5 digits integer, 5 digits
character, 5 digits character, 5 digits integer, three %8.3f fields]:
2NHST1 C1 56 3.263 2.528 16.345
and this one has 3 %10.4f fields:
3.6539 6.4644 20.0000
Those rules cannot be ignored or the programs i use to simulate and
analyze the results wont work.
This file describes the xyz coordinates and atom type of all the atoms
of the "system" i wish to simulate but i must sort all groups of
molecules together and that's what i planned to do with a python code.
I tried to accomplish this task using fortran wich is my main coding
skills, but it proved to be unstable so i decided to handle files
using a more apropriate languange while maintaining the number
crunching tasks written in fortran.
Thanks in advance and i apologise for eventual typos.
Eduardo Martins
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