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document supported file formats
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docs/file-formats.md
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44
docs/file-formats.md
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Support file formats and their extensions.
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## Structure
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- MMCIF and CIFCORE (mmCIF and coreCIF schemas): cif, bcif, mmcif, mcif
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- GRO: gro
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- MOL: mol
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- MOL2: mol2
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- PDB/PDBQT: pdb, ent, pdbqt
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- SDF: sdf, sd
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- XYZ: xyz
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## Topology
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Need to be loaded together with Coordinates.
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- PRMTOP: prmtop, parm7
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- PSF: psf
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- TOP: top
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## Coordinates
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Need to be loaded together with a Structure or Topology.
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- DCD: dcd
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- NCTRAJ: nc, nctraj
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- TRR: trr
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- XTC: xtc
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## Volume
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- CCP4/MRC/MAP: ccp4, mrc, map
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- CUBE (may include a Structure): cub, cube
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- DSN6/BRIX: dsn6, brix
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- DX and DXBIN: dx, dxbin
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- DSCIF (DensityServer CIF schema): cif, bcif
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## Shape
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- PLY
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@@ -122,7 +122,7 @@ async function parseBinary(taskCtx: RuntimeContext, data: Uint8Array, name: stri
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}
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export function parseDx(data: string | Uint8Array, name: string) {
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return Task.create<Result<DxFile>>('Parse Cube', taskCtx => {
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return Task.create<Result<DxFile>>('Parse DX', taskCtx => {
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if (typeof data === 'string') return parseText(taskCtx, data, name);
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return parseBinary(taskCtx, data, name);
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});
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