Luna Morrow

icon company AIBN icon location BAdvSci student at the University of Queensland. Actively working towards a career in Research Software Engineering.

Results 2 issues of Luna Morrow

Fix: modernise HBA to use AG as objects internally instead of selection strings - code only PR (Issue #3933)

36 comment

Fixes #3933 Changes made in this Pull Request: - Updated `guess_acceptors`, `guess_hydrogens`, `guess_donators`, `group_categories` and `get_dh_pairs` to remove reliance of HydrogenBondAnalysis on selection strings being passed internally PR Checklist ------------...

Component-Analysis

Interoperability with MDAnalysis

13 comment

Hi all. I am currently a Google Summer of Code Scholar working with MDAnalysis. My project involves the creation of a converter to convert between OpenBabel OBMols and MDAnalysis Universes....