Formatar | Descrição | Entrada | Saída |
abinit | ABINIT Output Format | ✓ | |
acesin | ACES input format | | ✓ |
acesout | ACES output format | ✓ | |
acr | ACR format | ✓ | |
adf | ADF cartesian input format | | ✓ |
adfband | ADF Band output format | ✓ | |
adfdftb | ADF DFTB output format | ✓ | |
adfout | ADF output format | ✓ | |
alc | Alchemy format | ✓ | ✓ |
aoforce | Turbomole AOFORCE output format | ✓ | |
arc | Accelrys/MSI Biosym/Insight II CAR format | ✓ | |
ascii | ASCII format | | ✓ |
axsf | XCrySDen Structure Format | ✓ | |
bgf | MSI BGF format | ✓ | ✓ |
box | Dock 3.5 Box format | ✓ | ✓ |
bs | Ball and Stick format | ✓ | ✓ |
c09out | Crystal 09 output format | ✓ | |
c3d1 | Chem3D Cartesian 1 format | ✓ | ✓ |
c3d2 | Chem3D Cartesian 2 format | ✓ | ✓ |
cac | CAChe MolStruct format | | ✓ |
caccrt | Cacao Cartesian format | ✓ | ✓ |
cache | CAChe MolStruct format | | ✓ |
cacint | Cacao Internal format | | ✓ |
can | Canonical SMILES format | ✓ | ✓ |
car | Accelrys/MSI Biosym/Insight II CAR format | ✓ | |
castep | CASTEP format | ✓ | |
ccc | CCC format | ✓ | |
cdjson | ChemDoodle JSON | ✓ | ✓ |
cdx | ChemDraw binary format | ✓ | |
cdxml | ChemDraw CDXML format | ✓ | ✓ |
cht | Chemtool format | | ✓ |
cif | Crystallographic Information File | ✓ | ✓ |
ck | ChemKin format | ✓ | ✓ |
cml | Chemical Markup Language | ✓ | ✓ |
cmlr | CML Reaction format | ✓ | ✓ |
cof | Culgi object file format | ✓ | ✓ |
com | Gaussian Input | | ✓ |
confabreport | Confab report format | | ✓ |
CONFIG | DL-POLY CONFIG | ✓ | ✓ |
CONTCAR | VASP format | ✓ | ✓ |
CONTFF | MDFF format | ✓ | ✓ |
copy | Copy raw text | | ✓ |
crk2d | Chemical Resource Kit diagram(2D) | ✓ | ✓ |
crk3d | Chemical Resource Kit 3D format | ✓ | ✓ |
csr | Accelrys/MSI Quanta CSR format | | ✓ |
cssr | CSD CSSR format | | ✓ |
ct | ChemDraw Connection Table format | ✓ | ✓ |
cub | Gaussian cube format | ✓ | ✓ |
cube | Gaussian cube format | ✓ | ✓ |
dallog | DALTON output format | ✓ | |
dalmol | DALTON input format | ✓ | ✓ |
dat | Generic Output file format | ✓ | |
dmol | DMol3 coordinates format | ✓ | ✓ |
dx | OpenDX cube format for APBS | ✓ | ✓ |
ent | Protein Data Bank format | ✓ | ✓ |
exyz | Extended XYZ cartesian coordinates format | ✓ | ✓ |
fa | FASTA format | ✓ | ✓ |
fasta | FASTA format | ✓ | ✓ |
fch | Gaussian formatted checkpoint file format | ✓ | |
fchk | Gaussian formatted checkpoint file format | ✓ | |
fck | Gaussian formatted checkpoint file format | ✓ | |
feat | Feature format | ✓ | ✓ |
fh | Fenske-Hall Z-Matrix format | | ✓ |
fhiaims | FHIaims XYZ format | ✓ | ✓ |
fix | SMILES FIX format | | ✓ |
fps | FPS text fingerprint format (Dalke) | | ✓ |
fpt | Fingerprint format | | ✓ |
fract | Free Form Fractional format | ✓ | ✓ |
fs | Fastsearch format | ✓ | ✓ |
fsa | FASTA format | ✓ | ✓ |
g03 | Gaussian Output | ✓ | |
g09 | Gaussian Output | ✓ | |
g16 | Gaussian Output | ✓ | |
g92 | Gaussian Output | ✓ | |
g94 | Gaussian Output | ✓ | |
g98 | Gaussian Output | ✓ | |
gal | Gaussian Output | ✓ | |
gam | GAMESS Output | ✓ | |
gamess | GAMESS Output | ✓ | |
gamin | GAMESS Input | ✓ | ✓ |
gamout | GAMESS Output | ✓ | |
gau | Gaussian Input | | ✓ |
gjc | Gaussian Input | | ✓ |
gjf | Gaussian Input | | ✓ |
got | GULP format | ✓ | |
gpr | Ghemical format | ✓ | ✓ |
gr96 | GROMOS96 format | | ✓ |
gro | GRO format | ✓ | ✓ |
gukin | GAMESS-UK Input | ✓ | ✓ |
gukout | GAMESS-UK Output | ✓ | ✓ |
gzmat | Gaussian Z-Matrix Input | ✓ | ✓ |
hin | HyperChem HIN format | ✓ | ✓ |
HISTORY | DL-POLY HISTORY | ✓ | |
inchi | InChI format | ✓ | ✓ |
inchikey | InChIKey | | ✓ |
inp | GAMESS Input | ✓ | ✓ |
ins | ShelX format | ✓ | |
jin | Jaguar input format | ✓ | ✓ |
jout | Jaguar output format | ✓ | |
k | Compare molecules using InChI | | ✓ |
lmpdat | The LAMMPS data format | | ✓ |
log | Generic Output file format | ✓ | |
lpmd | LPMD format | ✓ | ✓ |
mae | Maestro format | ✓ | ✓ |
maegz | Maestro format | ✓ | ✓ |
mcdl | MCDL format | ✓ | ✓ |
mcif | Macromolecular Crystallographic Info | ✓ | ✓ |
MDFF | MDFF format | ✓ | ✓ |
mdl | MDL MOL format | ✓ | ✓ |
ml2 | Sybyl Mol2 format | ✓ | ✓ |
mmcif | Macromolecular Crystallographic Info | ✓ | ✓ |
mmd | MacroModel format | ✓ | ✓ |
mmod | MacroModel format | ✓ | ✓ |
mna | Multilevel Neighborhoods of Atoms (MNA) | | ✓ |
mol | MDL MOL format | ✓ | ✓ |
mol2 | Sybyl Mol2 format | ✓ | ✓ |
mold | Molden format | ✓ | ✓ |
molden | Molden format | ✓ | ✓ |
molf | Molden format | ✓ | ✓ |
molreport | Open Babel molecule report | | ✓ |
moo | MOPAC Output format | ✓ | |
mop | MOPAC Cartesian format | ✓ | ✓ |
mopcrt | MOPAC Cartesian format | ✓ | ✓ |
mopin | MOPAC Internal | ✓ | ✓ |
mopout | MOPAC Output format | ✓ | |
mp | Molpro input format | | ✓ |
mpc | MOPAC Cartesian format | ✓ | ✓ |
mpd | MolPrint2D format | | ✓ |
mpo | Molpro output format | ✓ | |
mpqc | MPQC output format | ✓ | |
mpqcin | MPQC simplified input format | | ✓ |
mrv | Chemical Markup Language | ✓ | ✓ |
msi | Accelrys/MSI Cerius II MSI format | ✓ | |
msms | M.F. Sanner's MSMS input format | | ✓ |
nul | Outputs nothing | | ✓ |
nw | NWChem input format | | ✓ |
nwo | NWChem output format | ✓ | |
orca | ORCA output format | ✓ | |
orcainp | ORCA input format | | ✓ |
out | Generic Output file format | ✓ | |
outmol | DMol3 coordinates format | ✓ | ✓ |
output | Generic Output file format | ✓ | |
paint | Painter format | | ✓ |
pc | PubChem format | ✓ | |
pcjson | PubChem JSON | ✓ | ✓ |
pcm | PCModel Format | ✓ | ✓ |
pdb | Protein Data Bank format | ✓ | ✓ |
pdbqt | AutoDock PDBQT format | ✓ | ✓ |
png | PNG 2D depiction | | ✓ |
pointcloud | Point cloud on VDW surface | | ✓ |
pos | POS cartesian coordinates format | ✓ | |
POSCAR | VASP format | ✓ | ✓ |
POSFF | MDFF format | ✓ | ✓ |
pov | POV-Ray input format | | ✓ |
pqr | PQR format | ✓ | ✓ |
pqs | Parallel Quantum Solutions format | ✓ | ✓ |
prep | Amber Prep format | ✓ | |
pwscf | PWscf format | ✓ | |
qcin | Q-Chem input format | | ✓ |
qcout | Q-Chem output format | ✓ | |
report | Open Babel report format | | ✓ |
res | ShelX format | ✓ | |
rinchi | RInChI | | ✓ |
rsmi | Reaction SMILES format | ✓ | ✓ |
rxn | MDL RXN format | ✓ | ✓ |
sd | MDL MOL format | ✓ | ✓ |
sdf | MDL MOL format | ✓ | ✓ |
siesta | SIESTA format | ✓ | |
smi | SMILES format | ✓ | ✓ |
smiles | SMILES format | ✓ | ✓ |
smy | SMILES format using Smiley parser | ✓ | |
stl | STL 3D-printing format | | ✓ |
svg | SVG 2D depiction | | ✓ |
sy2 | Sybyl Mol2 format | ✓ | ✓ |
t41 | ADF TAPE41 format | ✓ | |
tdd | Thermo format | ✓ | ✓ |
text | Read and write raw text | ✓ | ✓ |
therm | Thermo format | ✓ | ✓ |
tmol | TurboMole Coordinate format | ✓ | ✓ |
txt | Title format | ✓ | ✓ |
txyz | Tinker XYZ format | ✓ | ✓ |
unixyz | UniChem XYZ format | ✓ | ✓ |
VASP | VASP format | ✓ | ✓ |
vmol | ViewMol format | ✓ | ✓ |
wln | Wiswesser Line Notation | ✓ | |
xed | XED format | | ✓ |
xml | General XML format | ✓ | |
xsf | XCrySDen Structure Format | ✓ | |
xyz | XYZ cartesian coordinates format | ✓ | ✓ |
yob | YASARA.org YOB format | ✓ | ✓ |
zin | ZINDO input format | | ✓ |