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document supported file formats

Alexander Rose 3 tahun lalu
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2 mengubah file dengan 45 tambahan dan 1 penghapusan
  1. 44 0
      docs/file-formats.md
  2. 1 1
      src/mol-io/reader/dx/parser.ts

+ 44 - 0
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

+ 1 - 1
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);
     });