Search results
Results from the WOW.Com Content Network
Jmol is computer software for molecular modelling of chemical structures in 3 dimensions. [2] It is an open-source Java viewer for chemical structures in 3D [3]. The name originated from ava (the programming language) + [mol]ecules, and also the mol file format. JSmol is an implementation in JavaScript of the functionality of Jmol. [4]
To display molecules with Jmol, your browser needs to be Java enabled. Two examples of Jmol images in a wiki are here and here. These use Jmol to show medium sized molecules with buttons to control the rotation of the molecules. The right mouse button opens a Jmol menu while the left mouse button can be used to move the image.
[3] Column K is that of Koltun's patent. [4] Column J is the color scheme used by the molecular visualizer Jmol. [9] Column R is the scheme used by Rasmol; when two colors are shown, the second one is valid for versions 2.7.3 and later. [9] [10] Column P consists of the colors in the PubChem database managed by the United States National ...
Between option 2 and 3, I don't know. Option 3 enables the use of gzipped files which can be interesting for very big files, but all files will be stored in the Image namespace (but categories can still be used). --NicoV 20:35, 27 April 2006 (UTC) I have one concern about putting files in the image space.
The affinities of JJC8-016 for the monoamine transporters are 114 nM for the dopamine transporter (DAT), 3850 nM for the norepinephrine transporter (NET) (34-fold lower than for the DAT), and 354 nM for the serotonin transporter (SERT) (3.1-fold lower than for the DAT).
The Jmol 3D model. When |SMILES= has input, the template automatically adds an external link to the Jmol 3D molecule model. |Jmol=none will suppress (hide) that data row ("none" is case-sensitive). |Jmol= some SMILES string will link to the 3D-model of that string (i.e. overwriting |SMILES= input). SMILES will show its input unchanged.
DMol 3 can either use gas phase boundary conditions or 3D periodic boundary conditions for solids or simulations of lower-dimensional periodicity. It has also pioneered the use of the conductor-like screening model COSMO Solvation Model [ 3 ] for quantum simulations of solvated molecules and recently of wetted surfaces.
Extensions of the model have been proposed for lattices of proteins by various authors. [5] [6] [7] Edelstein argued that the MWC model gave a better account of the data for hemoglobin than the sequential model [3] could do. [8] He and Changeux [9] applied the model to signal transduction. Changeux [10] has discussed the status of the model ...