Surface NMR processing and inversion GUI

T-bone 5d5a154170 fixed bug in gate integration related to rounding errors		преди 7 години
akvo	fixed bug in gate integration related to rounding errors	преди 7 години
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akvologo.svg	Pulled SVN into GIT.	преди 7 години
bir.sh	Pulled SVN into GIT.	преди 7 години
pyuic.json	Pulled SVN into GIT.	преди 7 години
setup.py	Akvo changes for kernel calculation (#1)	преди 7 години

Akvo

Akvo provides processing of surface NMR data. It aims to be simple to use yet flexible for accommodating changes to processing flow. Akvo is written primarily in Python 3 with a small amount of R as well. The application is written around a Qt GUI with plotting provided by Matplotlib.

The bleeding-edge code may be accesed using the git client

git clone https://git.lemmasoftware.org/akvo.git

or, using our GitHub mirror

git clone https://github.com/LemmaSoftware/akvo.git

Installation

Installation is straightforward. The only prerequisite that is sometimes not properly handled is PyQt5 which needs to be manually installed.

python3 setup.py build 
python3 setup.py install

Team

Akvo is developed by several teams including the University of Utah.

Capabilities

Akvo currently has preprocessing capabilities for VistaClara GMR data.

Benefits

Processing steps are retained and logged in the processed file header, which is written in YAML. This allows data processing to be repeatible, which is a major benefit.

Languages

Akvo is written primarily in Python 3, but has components written in R as well. The graphical user unterface is written in PyQt5. An interface to modelling software written in C++ (Lemma and Merlin) is in development.

README.md