Snapshot
megane-viewer / Snapshot
Interface: Snapshot
Defined in: types.ts:4
Decoded molecular snapshot data.
Properties
atomBFactors
atomBFactors:
Float32Array<ArrayBufferLike> |null
Defined in: types.ts:21
Per-atom B-factors (temperature factors) in Ų. Null for formats without B-factor info.
atomChainIds
atomChainIds:
Uint8Array<ArrayBufferLike> |null
Defined in: types.ts:19
Per-atom chain IDs as raw ASCII bytes (e.g. 65='A'). Null for formats without chain info.
bondOrders
bondOrders:
Uint8Array<ArrayBufferLike> |null
Defined in: types.ts:11
bonds
bonds:
Uint32Array
Defined in: types.ts:10
box
box:
Float32Array<ArrayBufferLike> |null
Defined in: types.ts:12
boxOrigin
boxOrigin:
Float32Array<ArrayBufferLike> |null
Defined in: types.ts:17
World-space lower corner (xlo,ylo,zlo) at which box is anchored, so the
cell is drawn where the (absolute) atom coordinates actually are. Length 3.
Null ⇒ origin at (0,0,0). Only formats with an explicit box origin
(LAMMPS data/dump) set it; others keep atoms near the origin.
caChainIds?
optionalcaChainIds?:Uint8Array<ArrayBufferLike>
Defined in: types.ts:24
caIndices?
optionalcaIndices?:Uint32Array<ArrayBufferLike>
Defined in: types.ts:23
caResNums?
optionalcaResNums?:Uint32Array<ArrayBufferLike>
Defined in: types.ts:25
caSsType?
optionalcaSsType?:Uint8Array<ArrayBufferLike>
Defined in: types.ts:26
elements
elements:
Uint8Array
Defined in: types.ts:9
nAtoms
nAtoms:
number
Defined in: types.ts:5
nBonds
nBonds:
number
Defined in: types.ts:6
nFileBonds
nFileBonds:
number
Defined in: types.ts:7
positions
positions:
Float32Array
Defined in: types.ts:8
symmetryOps?
optionalsymmetryOps?:string[]
Defined in: types.ts:34
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. The parser does NOT apply these: positions holds
the file's asymmetric unit as-is, and the symmetry pipeline node performs
the expansion into the full unit cell (its default "expand" mode).