BiochemicalVisualization.jl

Graphical interface for BiochemicalAlgorithms.jl
Author hildebrandtlab
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0 Stars
Updated Last
1 Month Ago
Started In
December 2022

BiochemicalVisualization

Stable Dev Build Status

BiochemicalVisualization is the graphical interface for BiochemicalAlgorithms.jl, providing different representations for biomolecular systems. All representations can be visualized in the form of interactive web widgets that are embeddable in Jypyter notebooks.

Installation

To install BiochemicalVisualization, open a Julia REPL, switch to the package mode by pressing ], and type

pkg> add BiochemicalVisualization

Usage

using BiochemicalAlgorithms, BiochemicalVisualization

# Read PDB file from the BiochemicalAlgorithms.jl repository
sys = load_pdb(ball_data_path("../test/data/AlaAla.pdb"))

# Prepare molecule
fdb = FragmentDB()
normalize_names!(sys, fdb)
reconstruct_fragments!(sys, fdb)
build_bonds!(sys, fdb)

# Visualize using ball-and-stick representation
ball_and_stick(sys)

Ball-and-stick representation of a simple molecule

Contributing

You have ideas for improvements, criticism, or ran into problems? You are looking for a feature that you know from BALL? Feedback and contributions are very welcome. Check out our guidelines and use our issue tracker or contact us via e-mail.

Used By Packages

No packages found.