From 0df3bcd65df6f6f7318c5dc486d60b837a52c858 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alexander.rose@weirdbyte.de>
Date: Tue, 19 Apr 2022 17:43:33 -0700
Subject: [PATCH] document supported file formats
---
docs/file-formats.md | 44 ++++++++++++++++++++++++++++++++++
src/mol-io/reader/dx/parser.ts | 2 +-
2 files changed, 45 insertions(+), 1 deletion(-)
create mode 100644 docs/file-formats.md
diff --git a/docs/file-formats.md b/docs/file-formats.md
new file mode 100644
index 000000000..ffdebbbd9
--- /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 a9167e993..5bf83c44c 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);
});
--
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