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 -- http://mail.python.org/mailman/listinfo/python-list