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● 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
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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 S e e a l s o
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T o g g l e t h e t a b l e o f c o n t e n t s
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5 l a n g u a g e s
● D e u t s c h ● E s p a ñ o l ● P o l s k i ● P o r t u g u ê s ● У к р а ї н с ь к а
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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
A screenshot of Ghemical 3.0.0
Ghemical authors
11 April 2000; 24 years ago (2000-04-11 ) [1]
C++
Unix-like
?
Computational chemistry
GPL
http://bioinformatics.org/ghemical
Ghemical is a computational chemistry software package written in C++ and released under the GNU General Public License .[2] graphical user interface based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations — MOPAC provides the semi-empirical MNDO , MINDO , AM1 , and PM3 methods, and MPQC methods based on Hartree–Fock calculations.
The chemical expert system is based on OpenBabel , which provides basis functionality like atom typing, rotamer generation and import/export of chemical file formats .
See also [ edit ]
References [ edit ]
^ Hassinen, Tommi; Perakyla, Mikael (June 2001). "New energy terms for reduced protein models implemented in an off-lattice force field". Journal of Computational Chemistry . 22 12 ): 1229–1242. doi :10.1002/jcc.1080 . S2CID 5073249 .
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R e t r i e v e d f r o m " https://en.wikipedia.org/w/index.php?title=Ghemical&oldid=1226392351 " 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 s o f t w a r e p r o g r a m m e d i n C + + ● 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 e d u c a t i o n a l s o f t w a r e ● S c i e n c e s o f t w a r e t h a t u s e s G T K ● S c i e n c e s o f t w a r e s t u b s ● C o m p u t a t i o n a l c h e m i s t r y s t u b s H i d d e n c a t e g o r i e s : ● A l l a r t i c l e s w i t h d e a d e x t e r n a l l i n k s ● A r t i c l e s w i t h d e a d e x t e r n a l l i n k s f r o m D e c e m b e r 2 0 1 9 ● A r t i c l e s w i t h p e r m a n e n t l y d e a d e x t e r n a l l i n k s ● A r t i c l e s w i t h F i n n i s h - l a n g u a g e s o u r c e s ( fi ) ● A l l s t u b a r t i c l e s
● T h i s p a g e w a s l a s t e d i t e d o n 3 0 M a y 2 0 2 4 , a t 1 0 : 1 2 ( 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
Commons
