document supported file formats

This commit is contained in:
Alexander Rose
2022-04-19 17:43:33 -07:00
parent f5ecf5648e
commit 0df3bcd65d
2 changed files with 45 additions and 1 deletions

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docs/file-formats.md Normal file
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Support file formats and their extensions.
## Structure
- MMCIF and CIFCORE (mmCIF and coreCIF schemas): cif, bcif, mmcif, mcif
- GRO: gro
- MOL: mol
- MOL2: mol2
- PDB/PDBQT: pdb, ent, pdbqt
- SDF: sdf, sd
- XYZ: xyz
## Topology
Need to be loaded together with Coordinates.
- PRMTOP: prmtop, parm7
- PSF: psf
- TOP: top
## Coordinates
Need to be loaded together with a Structure or Topology.
- DCD: dcd
- NCTRAJ: nc, nctraj
- TRR: trr
- XTC: xtc
## Volume
- CCP4/MRC/MAP: ccp4, mrc, map
- CUBE (may include a Structure): cub, cube
- DSN6/BRIX: dsn6, brix
- DX and DXBIN: dx, dxbin
- DSCIF (DensityServer CIF schema): cif, bcif
## Shape
- PLY

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@@ -122,7 +122,7 @@ async function parseBinary(taskCtx: RuntimeContext, data: Uint8Array, name: stri
}
export function parseDx(data: string | Uint8Array, name: string) {
return Task.create<Result<DxFile>>('Parse Cube', taskCtx => {
return Task.create<Result<DxFile>>('Parse DX', taskCtx => {
if (typeof data === 'string') return parseText(taskCtx, data, name);
return parseBinary(taskCtx, data, name);
});