diff --git a/docs/file-formats.md b/docs/file-formats.md new file mode 100644 index 0000000000000000000000000000000000000000..ffdebbbd9adca44246fff6e059504d1efa93f362 --- /dev/null +++ b/docs/file-formats.md @@ -0,0 +1,44 @@ + +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 diff --git a/src/mol-io/reader/dx/parser.ts b/src/mol-io/reader/dx/parser.ts index a9167e9932637a0a4fc38d4bde260a0da69ce043..5bf83c44c10acda8ddb377ef21732a5eb9c4a941 100644 --- a/src/mol-io/reader/dx/parser.ts +++ b/src/mol-io/reader/dx/parser.ts @@ -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); });