| File Format |
Default Extension |
Read |
Write |
Remark |
| 441 |
441 |
 |
|
|
| Alchemy |
alc |
|
|
|
| Cactvs/Ascii |
cac |
|
|
|
| Cactvs/Scan |
cbr |
|
|
|
| Cactvs/Binary |
bin |
|
|
|
| CAR |
car |
|
|
|
| Cerius II |
msi |
|
|
|
| Charmm |
crd |
|
|
|
| ChemDraw |
cdx |
|
|
|
| ChemDraw XML |
cdxml |
|
|
|
| CIF |
cif |
|
|
|
| CML |
xml |
 |
|
|
| Compass |
cpa |
|
|
|
| Cosmo |
cosmo |
|
|
|
| CTX |
ctx |
|
|
|
| FIG |
fig |
|
|
|
| Gaussian Archives |
garc |
|
|
|
| Gaussian Cube |
cube |
|
|
|
| Gaussian Input |
gin |
|
|
|
| Hitlist |
hit |
|
|
|
| Hyperchem |
hin |
|
|
|
| Index |
idx |
|
|
|
| JCAMP |
jcp |
|
|
JCAMP-DX and JCAMP-CS |
| JME |
jme |
|
|
|
| M3D |
m3d |
|
|
|
| Maestro |
mae |
|
|
Format of MacroModel |
| Molconn-Z |
molconnz |
|
|
|
| MDL Isis SKC |
skc |
|
|
No 3D queries yet |
| MDL Molfile |
mol |
|
|
|
| MDL SDF |
sdf |
|
|
|
| MDL SDF V3000 |
sdf3000 |
|
|
|
| MDL TGF |
tgf |
|
|
|
| Molgen |
gen |
|
|
|
| Mopac Input |
mop |
|
|
writing requires existing Z-Matrix |
| Mopac Output |
out |
|
|
|
| NETCDF |
netcdf |
|
|
|
| PDB |
pdb |
|
|
|
| RDF |
rdf |
|
|
|
| RXN |
rxn |
|
|
|
| SCF |
scf |
|
|
|
| Sharc |
sharc |
|
|
|
| Shel-X |
shelx |
|
|
|
| SLN |
sln |
|
|
|
| SMD 4 |
smd |
|
|
|
| SMD 5 |
smd5 |
|
|
Not a complete impementation |
| SMARTS |
sma |
|
|
|
| SMILES |
smi |
|
|
|
| STF |
stf |
|
|
|
| Sybyl |
syb |
|
|
|
| Sybyl II |
syb2 |
|
|
|
| Thor Data Tree/Stigmata |
tdt |
|
|
|
| Vamp |
vamp |
|
|
|
| VRML |
wrl |
|
|
Input only with embedded structure |
| XBSA |
bs |
|
|
|
| Xtelplot |
xtel |
|
|
|
| XYZ |
xyz |
|
|
|
| XYZR |
xyzr |
|
|
|
