John McBride

icon indicating a website link https://scholar.google.co.uk/citations?user=PYTwBWIAAAAJ&hl=en

icon location Computational scientist studying the evolution of proteins and music (so far, separately).

Results 3 comments of John McBride

Dealing with nested subdirectories

That's what I did, thanks. I managed to get all ~ 60,000 pdb files compressed within an hour.

Implement lDDT calculation

Hi there, long-time lurker here. (hi to Irfan and Richard if you see this) I am currently putting together a protein structure analysis package -- [protein deformation analysis](https://github.com/mirabdi/PDAnalysis) -- I...

Implement lDDT calculation

Hi @orbeckst, PDAnalysis is written mainly for analyzing AlphaFold and Protein Data Bank structures, hence using Biopython which is more oriented towards that. However I'm currently using MDAnalysis for analyzing...