Snapshot

megane-viewer

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megane-viewer / Snapshot

Interface: Snapshot

Defined in: types.ts:4

Decoded molecular snapshot data.

Properties

atomBFactors

atomBFactors: Float32Array<ArrayBufferLike> | null

Defined in: types.ts:16

Per-atom B-factors (temperature factors) in Ų. Null for formats without B-factor info.

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atomChainIds

atomChainIds: Uint8Array<ArrayBufferLike> | null

Defined in: types.ts:14

Per-atom chain IDs as raw ASCII bytes (e.g. 65='A'). Null for formats without chain info.

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bondOrders

bondOrders: Uint8Array<ArrayBufferLike> | null

Defined in: types.ts:11

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bonds

bonds: Uint32Array

Defined in: types.ts:10

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box

box: Float32Array<ArrayBufferLike> | null

Defined in: types.ts:12

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caChainIds?

optional caChainIds?: Uint8Array<ArrayBufferLike>

Defined in: types.ts:19

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caIndices?

optional caIndices?: Uint32Array<ArrayBufferLike>

Defined in: types.ts:18

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caResNums?

optional caResNums?: Uint32Array<ArrayBufferLike>

Defined in: types.ts:20

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caSsType?

optional caSsType?: Uint8Array<ArrayBufferLike>

Defined in: types.ts:21

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elements

elements: Uint8Array

Defined in: types.ts:9

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nAtoms

nAtoms: number

Defined in: types.ts:5

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nBonds

nBonds: number

Defined in: types.ts:6

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nFileBonds

nFileBonds: number

Defined in: types.ts:7

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positions

positions: Float32Array

Defined in: types.ts:8

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symmetryOps?

optional symmetryOps?: string[]

Defined in: types.ts:29

Crystallographic symmetry operations as raw x,y,z-style strings, captured from a CIF _symmetry_equiv_pos_as_xyz loop. Undefined for formats without space-group information. Informational only: the CIF parser already applies these to expand the asymmetric unit into the full unit cell, so positions holds the expanded structure (not the raw asymmetric unit).