J u m p t o c o n t e n t
M a i n m e n u
M a i n m e n u
N a v i g a t i o n
● M a i n p a g e ● C o n t e n t s ● C u r r e n t e v e n t s ● R a n d o m a r t i c l e ● A b o u t W i k i p e d i a ● C o n t a c t u s ● D o n a t e
C o n t r i b u t e
● H e l p ● L e a r n t o e d i t ● C o m m u n i t y p o r t a l ● R e c e n t c h a n g e s ● U p l o a d f i l e
S e a r c h
Search
A p p e a r a n c e
● C r e a t e a c c o u n t ● L o g i n
P e r s o n a l t o o l s
● C r e a t e a c c o u n t ● L o g i n
P a g e s f o r l o g g e d o u t e d i t o r s l e a r n m o r e ● C o n t r i b u t i o n s ● T a l k
( T o p )
1 A b o u t
2 H i s t o r y
3 M a j o r f e a t u r e s
4 S e e a l s o
5 R e f e r e n c e s
6 E x t e r n a l l i n k s
T o g g l e t h e t a b l e o f c o n t e n t s
O p e n B a b e l
8 l a n g u a g e s
● D e u t s c h ● E s p a ñ o l ● F r a n ç a i s ● 한 국 어 ● I t a l i a n o ● 日 本 語 ● Р у с с к и й ● У к р а ї н с ь к а
E d i t l i n k s
● A r t i c l e ● T a l k
E n g l i s h
● R e a d ● E d i t ● V i e w h i s t o r y
T o o l s
T o o l s
A c t i o n s
● R e a d ● E d i t ● V i e w h i s t o r y
G e n e r a l
● W h a t l i n k s h e r e ● R e l a t e d c h a n g e s ● U p l o a d f i l e ● S p e c i a l p a g e s ● P e r m a n e n t l i n k ● P a g e i n f o r m a t i o n ● C i t e t h i s p a g e ● G e t s h o r t e n e d U R L ● D o w n l o a d Q R c o d e ● W i k i d a t a i t e m
P r i n t / e x p o r t
● D o w n l o a d a s P D F ● P r i n t a b l e v e r s i o n
A p p e a r a n c e
F r o m W i k i p e d i a , t h e f r e e e n c y c l o p e d i a
( R e d i r e c t e d f r o m O p e n B a b e l )
Open Babel development team
2 June 2005; 19 years ago (2005-06-02 )
3.1.1[1] ; 4 years ago (8 May 2020 )
www
C C++ (wxWidgets [2]
Windows , macOS , Linux , Android
IA-32 , x86-64
English
Cheminformatics , molecular modelling
GPL 2.0
www
Open Babel is computer software , a chemical expert system mainly used to interconvert chemical file formats .[3]
Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling . It is available for Windows , Unix , Linux , macOS , and Android . It is free and open-source software released under a GNU General Public License (GPL) 2.0.
The project's stated goal is:
"Open Babel is a community-driven scientific project assisting both users and developers as a cross-platform program and library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data."
History [ edit ]
Open Babel and JOELib were derived from the OELib cheminformatics library. In turn, OELib was based on ideas in the original chemistry program Babel and an unreleased object-oriented programming library called OBabel .
Major features [ edit ]
See also [ edit ]
References [ edit ]
^ "Debian -- Details of package openbabel-gui in jessie" . Retrieved 2017-03-10 .
^ O'Boyle, N. M.; Banck, M.; James, C. A.; Morley, C.; Vandermeersch, T.; Hutchison, G. R. (2011). "Open Babel: An open chemical toolbox" . Journal of Cheminformatics . 3 doi :10.1186/1758-2946-3-33 PMC 3198950 PMID 21982300 .
^ Yoshikawa, Naruki; Hutchison, Geoffrey R. (1 August 2019). "Fast, efficient fragment-based coordinate generation for Open Babel" . Journal of Cheminformatics . 11 1 ): 49. doi :10.1186/s13321-019-0372-5 PMC 6676618 PMID 31372768 .
^ "Open Babel - the chemistry toolbox — Open Babel openbabel-3-1-1 documentation" . openbabel.org . Retrieved 2024-02-18 .
^ Guha, R.; Howard, M. T.; Hutchison, G. R.; Murray-Rust, P. ; Rzepa, H. ; Steinbeck, C. ; Wegner, J.; Willighagen, E. L. (2006). "The Blue Obelisk - Interoperability in Chemical Informatics" . Journal of Chemical Information and Modeling . 46 3 ): 991–998. doi :10.1021/ci050400b . PMC 4878861 PMID 16711717 .
External links [ edit ]
Chemistry Development Kit
ECCE
JOELib
OELib
Open Babel
RDKit
Chemicalize
Discovery Studio
Chemical WorkBench
CHEMKIN
COSILAB
DelPhi
Khimera
Biskit
Gabedit
Ghemical
Jmol
Molekel
PyMOL
QuteMol
RasMol
ACD/ChemSketch
Atomistix ToolKit
ChemDraw
ChemWindow
EzMol
Gaussian
Maestro
MarvinSketch
MarvinView
MODELLER
Molecular Operating Environment
SAMSON
Spartan
UCSF Chimera
VMD
rDock
LeDock
Molecular Operating Environment
OpenMM
PLUMED
AMBER
CHARMM
CPMD
Desmond
GROMOS
NAMD
BigDFT
COLUMBUS
CONQUEST
CP2K
Dalton
DIRAC
DP code
FLEUR
FreeON
MADNESS
MOPAC
MPQC
NWChem
Octopus
OpenMolcas
PARSEC
PSI
PyQuante
PySCF
Quantum ESPRESSO (PWscf)
RMG
SIESTA
VB2000
YAMBO code
AMPAC
DMol3
CADPAC
CASINO
CASTEP
CPMD
CRUNCH
CRYSTAL
Firefly
GAMESS (UK )
GAMESS (US )
Gaussian
Jaguar
MOLCAS
MOLPRO
ONETEP
OpenAtom
ORCA
PLATO
PQS
Q-Chem
Quantemol
Scigress
Spartan
TeraChem
TURBOMOLE
VASP
WIEN2k
XMVB
BIOVIA Draw
ChemDoodle
ChemDraw
ChemWindow
JME Molecule Editor
MarvinSketch
Eulim
EXC code
GenX
GSim
Mercury
CrystalExplorer
ICM (ICM-Browser)
Materials Studio
Molden
OpenChrom
SASHIMI
R e t r i e v e d f r o m " https://en.wikipedia.org/w/index.php?title=Open_Babel&oldid=1211850337 " C a t e g o r i e s : ● C o m p u t a t i o n a l c h e m i s t r y s o f t w a r e ● F r e e c h e m i s t r y s o f t w a r e ● F r e e s o f t w a r e p r o g r a m m e d i n C + + ● C h e m i s t r y s o f t w a r e f o r L i n u x ● S o f t w a r e t h a t u s e s w x W i d g e t s ● F i l e c o n v e r s i o n s o f t w a r e ● 2 0 0 5 s o f t w a r e H i d d e n c a t e g o r y : ● O f f i c i a l w e b s i t e d i f f e r e n t i n W i k i d a t a a n d W i k i p e d i a
● T h i s p a g e w a s l a s t e d i t e d o n 4 M a r c h 2 0 2 4 , a t 2 0 : 3 0 ( U T C ) . ● T e x t i s a v a i l a b l e u n d e r t h e C r e a t i v e C o m m o n s A t t r i b u t i o n - S h a r e A l i k e L i c e n s e 4 . 0 ;
a d d i t i o n a l t e r m s m a y a p p l y . B y u s i n g t h i s s i t e , y o u a g r e e t o t h e T e r m s o f U s e a n d P r i v a c y P o l i c y . W i k i p e d i a ® i s a r e g i s t e r e d t r a d e m a r k o f t h e W i k i m e d i a F o u n d a t i o n , I n c . , a n o n - p r o f i t o r g a n i z a t i o n . ● P r i v a c y p o l i c y ● A b o u t W i k i p e d i a ● D i s c l a i m e r s ● C o n t a c t W i k i p e d i a ● C o d e o f C o n d u c t ● D e v e l o p e r s ● S t a t i s t i c s ● C o o k i e s t a t e m e n t ● M o b i l e v i e w
/ 8 May 2020; 4 years ago (8 May 2020)
