Difference between revisions of "List of extensions"
From Open Babel
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==A== | ==A== | ||
* acr - [[ACR]] Carine ASCII Crystal | * acr - [[ACR]] Carine ASCII Crystal | ||
| + | * adf - [[ADF Input]] | ||
| + | * adfout - [[ADF Output]] | ||
* alc - [[Alchemy]] | * alc - [[Alchemy]] | ||
* arc - [[Accelrys/MSI Biosym/Insight II CAR]] | * arc - [[Accelrys/MSI Biosym/Insight II CAR]] | ||
| Line 24: | Line 26: | ||
* cht - [[Chemtool]] | * cht - [[Chemtool]] | ||
* cif - [[Crystallographic Information File]] | * cif - [[Crystallographic Information File]] | ||
| + | * ck - [[Chemkin]] | ||
* cml - [[Chemical Markup Language]] | * cml - [[Chemical Markup Language]] | ||
* cmlr - [[CML React]] | * cmlr - [[CML React]] | ||
| Line 33: | Line 36: | ||
* cssr - [[CSD CSSR]] | * cssr - [[CSD CSSR]] | ||
* ct - [[ChemDraw Connection Table]] | * ct - [[ChemDraw Connection Table]] | ||
| + | * cub - [[Gaussian Cube]] | ||
| + | * cube - [[Gaussian Cube]] | ||
==D== | ==D== | ||
* dmol - [[DMol3 coordinates]] | * dmol - [[DMol3 coordinates]] | ||
| + | * dx - [[OpenDX grid]] | ||
==E== | ==E== | ||
* ent - [[Protein Data Bank]] | * ent - [[Protein Data Bank]] | ||
| Line 64: | Line 70: | ||
* gpr - [[Ghemical]] | * gpr - [[Ghemical]] | ||
* gr96 - [[GROMOS96]] | * gr96 - [[GROMOS96]] | ||
| + | * gukin - [[GAMESS UK Input]] | ||
| + | * gukout - [[GAMESS UK Output]] | ||
| + | * gzmat - [[Gaussian Z-matrix Input]] | ||
==H== | ==H== | ||
* hin - [[HyperChem HIN]] | * hin - [[HyperChem HIN]] | ||
| Line 74: | Line 83: | ||
* jout - [[Jaguar output]] | * jout - [[Jaguar output]] | ||
==M== | ==M== | ||
| + | * mcdl - [[MCDL]] | ||
| + | * mcif - [[mmCIF]] | ||
* mdl - [[MDL Molfile]] | * mdl - [[MDL Molfile]] | ||
* ml2 - [[Sybyl Mol2]] | * ml2 - [[Sybyl Mol2]] | ||
| + | * mmcif - [[mmCIF]] | ||
* mmd - [[MacroModel]] | * mmd - [[MacroModel]] | ||
* mmod - [[MacroModel]] | * mmod - [[MacroModel]] | ||
* mol - [[MDL Molfile]] | * mol - [[MDL Molfile]] | ||
* mol2 - [[Sybyl mol2]] | * mol2 - [[Sybyl mol2]] | ||
| + | * molden - [[Molden]] | ||
* molreport - [[Open Babel MolReport]] | * molreport - [[Open Babel MolReport]] | ||
* moo - [[MOPAC Output]] | * moo - [[MOPAC Output]] | ||
| Line 90: | Line 103: | ||
* mpqc - [[MPQC output]] | * mpqc - [[MPQC output]] | ||
* mpqcin - [[MPQC simplified input]] | * mpqcin - [[MPQC simplified input]] | ||
| + | * msi - [[Accelrys MSI text]] | ||
| + | * msms - [[MSMS input]] | ||
==N== | ==N== | ||
* nw - [[NWChem input]] | * nw - [[NWChem input]] | ||
| Line 99: | Line 114: | ||
* pcm - [[PCModel]] | * pcm - [[PCModel]] | ||
* pdb - [[Protein Data Bank]] | * pdb - [[Protein Data Bank]] | ||
| + | * png- [[PNG (embedded)]] | ||
* pov - [[POV-Ray input]] | * pov - [[POV-Ray input]] | ||
| + | * pqr - [[APBS PQR]] | ||
* pqs - [[Parallel Quantum Solutions]] | * pqs - [[Parallel Quantum Solutions]] | ||
* prep - [[Amber Prep]] | * prep - [[Amber Prep]] | ||
| Line 108: | Line 125: | ||
* report - [[Open Babel report]] | * report - [[Open Babel report]] | ||
* res - [[ShelX]] | * res - [[ShelX]] | ||
| + | * rsmi - [[Reaction SMILES]] | ||
* rxn - [[MDL RXN]] | * rxn - [[MDL RXN]] | ||
==S== | ==S== | ||
| Line 116: | Line 134: | ||
* sy2 - [[Sybyl Mol2]] | * sy2 - [[Sybyl Mol2]] | ||
==T== | ==T== | ||
| + | * t41 - [[ADF Tape41]] | ||
* tdd - [[Thermo]] | * tdd - [[Thermo]] | ||
* test - [[Test]] | * test - [[Test]] | ||
Latest revision as of 13:55, 2 July 2008
A list of file formats by name (rather than file extension) is also available.
Contents: Top - 0–9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
A
- acr - ACR Carine ASCII Crystal
- adf - ADF Input
- adfout - ADF Output
- alc - Alchemy
- arc - Accelrys/MSI Biosym/Insight II CAR
B
- bgf - MSI BGF
- box - Dock 3.5 Box
- bs - Ball and Stick
C
- c3d1 - Chem3D Cartesian 1
- c3d2 - Chem3D Cartesian 2
- cac - CAChe MolStruct
- caccrt - Cacao Cartesian
- cache - CAChe MolStruct
- cacint - Cacao Internal
- can - Canonical SMILES
- car - Accelrys/MSI Biosym/Insight II CAR
- ccc - CCC
- cdx - ChemDraw CDX
- cdxml - ChemDraw CDXML
- cht - Chemtool
- cif - Crystallographic Information File
- ck - Chemkin
- cml - Chemical Markup Language
- cmlr - CML React
- com - Gaussian 98/03 Cartesian Input
- copy - Raw Copy
- crk2d - Chemical Resource Kit 2D
- crk3d - Chemical Resource Kit 3D
- csr - Accelrys/MSI Quanta CSR
- cssr - CSD CSSR
- ct - ChemDraw Connection Table
- cub - Gaussian Cube
- cube - Gaussian Cube
D
- dmol - DMol3 coordinates
- dx - OpenDX grid
E
- ent - Protein Data Bank
F
- fa - FASTA
- fasta - FASTA
- fch - Gaussian checkpoint file
- fchk - Gaussian checkpoint file
- fck - Gaussian checkpoint file
- feat - Feature
- fh - Fenske-Hall Z-Matrix
- fix - SMILES FIX
- fpt - Fingerprint
- fract - Free Form Fractional
- fs - FastSearch
- fsa - FASTA
G
- g03 - Gaussian98/03 Output
- g92 - Gaussian98/03 Output
- g94 - Gaussian98/03 Output
- g98 - Gaussian98/03 Output
- gal - Gaussian98/03 Output
- gam - GAMESS Output
- gamin - GAMESS Input
- gamout - GAMESS Output
- gau - Gaussian 98/03 Cartesian Input
- gjc - Gaussian 98/03 Input
- gjf - Gaussian 98/03 Input
- gpr - Ghemical
- gr96 - GROMOS96
- gukin - GAMESS UK Input
- gukout - GAMESS UK Output
- gzmat - Gaussian Z-matrix Input
H
- hin - HyperChem HIN
I
- inchi - InChI
- inp - GAMESS Input
- ins - ShelX
J
- jin - Jaguar input
- jout - Jaguar output
M
- mcdl - MCDL
- mcif - mmCIF
- mdl - MDL Molfile
- ml2 - Sybyl Mol2
- mmcif - mmCIF
- mmd - MacroModel
- mmod - MacroModel
- mol - MDL Molfile
- mol2 - Sybyl mol2
- molden - Molden
- molreport - Open Babel MolReport
- moo - MOPAC Output
- mop - MOPAC Cartesian
- mopcrt - MOPAC Cartesian
- mopin - MOPAC Internal
- mopout - MOPAC Output
- mpc - MOPAC Cartesian
- mpd - Sybyl descriptor
- mpqc - MPQC output
- mpqcin - MPQC simplified input
- msi - Accelrys MSI text
- msms - MSMS input
N
- nw - NWChem input
- nwo - NWChem output
O
- outmol - DMol3 coordinates
P
- pc - PubChem
- pcm - PCModel
- pdb - Protein Data Bank
- png- PNG (embedded)
- pov - POV-Ray input
- pqr - APBS PQR
- pqs - Parallel Quantum Solutions
- prep - Amber Prep
Q
- qcin - Q-Chem input
- qcout - Q-Chem output
R
- report - Open Babel report
- res - ShelX
- rsmi - Reaction SMILES
- rxn - MDL RXN
S
- sd - MDL Molfile
- sdf - MDL Molfile
- smi - SMILES
- smiles - SMILES
- sy2 - Sybyl Mol2
T
- t41 - ADF Tape41
- tdd - Thermo
- test - Test
- therm - Thermo
- tmol - TurboMole Coordinate
- txt - Titles
- txyz - Tinker XYZ
U
- unixyz - UniChem XYZ
V
- vmol - ViewMol
X
- xed - XED
- xml - General XML
- xyz - XYZ (format)
Y
- yob - YASARA Yob
Z
- zin - Zindo
