Public API#

This section documents the supported, user-facing Python API.

Core entrypoints#

`molsysviewer.MolSysView`	Mol* viewer widget with a Python-facing API.
`molsysviewer.new_view`	Create and return a MolSysView, optionally loading a molecular system.
`molsysviewer.demo`	Dictionary-like access to built-in demo views.

`molsysviewer.MolSysView.select`	Select indices from the current molecular system (MolSysMT selection language).
`molsysviewer.MolSysView.get`	Retrieve attribute values from the current molecular system (MolSysMT get).
`molsysviewer.MolSysView.info`
`molsysviewer.MolSysView.append_structures`	Append structures (frames) to the loaded system and refresh the viewer (live).
`molsysviewer.MolSysView.set`	Set attribute values on the loaded system and refresh the viewer (live).
`molsysviewer.MolSysView.add`	Add atoms/structures from another system into this view and refresh the viewer (live).
`molsysviewer.MolSysView.remove`	Remove atoms and/or structures from this view and refresh the viewer (live).

The installed package version is available as molsysviewer.__version__.

`molsysviewer.config`	User-facing configuration for MolSysViewer.
`molsysviewer.config.show_controls`	bool(x) -> bool
`molsysviewer.config.autohide_controls`	bool(x) -> bool
`molsysviewer.config.controls_position`	Built-in mutable sequence.
`molsysviewer.config.controls_position_fullscreen`	Built-in mutable sequence.
`molsysviewer.config.load_user_presets`	Load user presets from a JSON or YAML file into `user_presets`.

molsysviewer.config.user_presets = {}#

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object’s

(key, value) pairs

dict(iterable) -> new dictionary initialized as if via:: d = {} for k, v in iterable:

d[k] = v
dict(**kwargs) -> new dictionary initialized with the name=value pairs: in the keyword argument list. For example: dict(one=1, two=2)

`molsysviewer.whole.Whole`	Wrapper for operations on the whole structure (non-deletable, non-retaggable).
`molsysviewer.regions.Region`	Wrapper for a molecular region (Mol* component) addressed by tag.
`molsysviewer.layers.Layer`	Wrapper for a non-structural visual layer (shapes, overlays) addressed by tag.

`molsysviewer.loaders`
`molsysviewer.loaders.load_from_molsysmt`	Internal backend for MolSysView.load(...).

`molsysviewer.shapes`
`molsysviewer.shapes.ShapesManager`	Shape manager bound to a MolSysView.
`molsysviewer.shapes.SphereShapes`	Sphere helpers for the scene.
`molsysviewer.shapes.PocketSurfaces`	Helpers for pocket/void surfaces based on selected atoms.
`molsysviewer.shapes.PocketBlobs`	API for volumetric blobs (Gaussian fields) built from alpha-spheres.
`molsysviewer.shapes.ChannelTubes`	API to build channel tubes along ordered centers/radii (e.g., TopoMT routes).
`molsysviewer.shapes.AnisotropyEllipsoids`	Visualize oriented ellipsoids/disks from eigenvalues/eigenvectors or tensors.
`molsysviewer.shapes.PharmacophoreShapes`	API for pharmacophore glyphs (spheres/disks/arrows).
`molsysviewer.shapes.LinkShapes`
`molsysviewer.shapes.DisplacementVectors`
`molsysviewer.shapes.TriangleFaces`
`molsysviewer.shapes.Tetrahedra`

Return an IFrame pointing to a pre-generated MolSysViewer HTML asset.