GitHub - fruchoc/launder: A GUI for post-processing MOPS calculations, written in Python 2.7/GTK+

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A GUI for post-processing MOPS calculations, written in Python 2.7/GTK+

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Name		Name	Last commit message	Last commit date
Latest commit History 65 Commits
datamodel		datamodel
program		program
.project		.project
.pydevproject		.pydevproject
README		README
__init__.py		__init__.py
app.py		app.py
silica-w1-4-chem.csv		silica-w1-4-chem.csv
silica-w1-4-part.csv		silica-w1-4-part.csv
silica-w1-4-psl(0.8s).csv		silica-w1-4-psl(0.8s).csv

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******************************************************************************
LAUNDER GTK+
A postprocessing and plotting suite for dealing with the output files from 
MOPS calculations

(c) William Menz (wjm34) 2012

******************************************************************************
OVERVIEW
Launder GTK+ can either be run as a graphical user interface (GUI) or at 
command line with certain runtime flags. It is ideal for rapidly visualising
the results of a MOPS calculation and producing publication-quality results.

******************************************************************************
REQUIREMENTS
Currently, the GUI has the following dependencies:
Python: version 2.7+ (may operate under 2.6, but untested)
Matplotlib: version 1.0.0+
Pygtk: version 2.0+
GTK: unsure, possibly 2.24.0+

The system has been tested under both Ubuntu 10.04+ and Windows 7

******************************************************************************
INSTALLATION
The repository is currently located on Github. Read and write access can be 
obtained by pulling: git@github.com:fruchoc/launder.git
or read-only with: git://github.com/fruchoc/launder.git

Pygtk and GTK installation instructions are given at:
http://www.pygtk.org/downloads.html

Matplotlib can be obtained at:
http://matplotlib.sourceforge.net/
Note it is quite sensitive to your version of Python installed.

******************************************************************************
RUNNING
The GUI can be run by simply typing at command line
python app.py

A file can be postprocessed into XML or DSV summaries using the instructions
given when typing:
python app.py --help
e.g. getting an XML summary of a PSL file's PSDs:
python app.py -i "silicon-psl(1s).csv" -x out.xml

NOTE: the quotation marks are needed when command-line arguments have 
parentheses.