Benutzer:Matthias M./caffeine.js
aus Wikipedia, der freien Enzyklopädie
Hinweis: Leere nach dem Veröffentlichen den Browser-Cache, um die Änderungen sehen zu können.
- Firefox/Safari: Umschalttaste drücken und gleichzeitig Aktualisieren anklicken oder entweder Strg+F5 oder Strg+R (⌘+R auf dem Mac) drücken
- Google Chrome: Umschalttaste+Strg+R (⌘+Umschalttaste+R auf dem Mac) drücken
- Internet Explorer/Edge: Strg+F5 drücken oder Strg drücken und gleichzeitig Aktualisieren anklicken
- Opera: Strg+F5
//initialize component and set visual specifications
var viewerCanvas = new ChemDoodle.ViewerCanvas('viewerCanvas', 100, 100);
//the width of the bonds should be .6 pixels
viewerCanvas.specs.bonds_width_2D = .6;
//the spacing between higher order bond lines should be 18% of the length of the bond
viewerCanvas.specs.bonds_saturationWidth_2D = .18;
//the hashed wedge spacing should be 2.5 pixels
viewerCanvas.specs.bonds_hashSpacing_2D = 2.5;
//the atom label font size should be 10
viewerCanvas.specs.atoms_font_size_2D = 10;
//we define a cascade of acceptable font families
//if Helvetica is not found, Arial will be used
viewerCanvas.specs.atoms_font_families_2D = ["Helvetica", "Arial", "sans-serif"];
//display carbons labels if they are terminal
viewerCanvas.specs.atoms_displayTerminalCarbonLabels_2D = true;
//load data and read into a Molecule
var caffeineMolFile = 'Molecule Name\n CHEMDOOD08070920033D 0 0.00000 0.00000 0\n[Insert Comment Here]\n 14 15 0 0 0 0 0 0 0 0 1 V2000\n -0.3318 2.0000 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0\n -0.3318 1.0000 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0\n -1.1980 0.5000 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0\n 0.5342 0.5000 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0\n -1.1980 -0.5000 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0\n -2.0640 1.0000 0.0000 C 0 0 0 4 0 0 0 0 0 0 0 0\n 1.4804 0.8047 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0\n 0.5342 -0.5000 0.0000 C 0 0 0 1 0 0 0 0 0 0 0 0\n -2.0640 -1.0000 0.0000 O 0 0 0 1 0 0 0 0 0 0 0 0\n -0.3318 -1.0000 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0\n 2.0640 -0.0000 0.0000 C 0 0 0 2 0 0 0 0 0 0 0 0\n 1.7910 1.7553 0.0000 C 0 0 0 4 0 0 0 0 0 0 0 0\n 1.4804 -
0.8047 0.0000 N 0 0 0 1 0 0 0 0 0 0 0 0\n -0.3318 -2.0000 0.0000 C 0 0 0 4 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 0 0 0 0\n 4 2 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 7 4 1 0 0 0 0\n 4 8 2 0 0 0 0\n 9 5 2 0 0 0 0\n 10 5 1 0 0 0 0\n 10 8 1 0 0 0 0\n 7 11 1 0 0 0 0\n 7 12 1 0 0 0 0\n 13 8 1 0 0 0 0\n 13 11 2 0 0 0 0\n 10 14 1 0 0 0 0\nM END\n> <DATE>\n07-08-2009\n';
var caffeine = ChemDoodle.readMOL(caffeineMolFile);
//the bond lengths should be 14.4 pixels in ACS Document 1996
caffeine.scaleToAverageBondLength(14.4);
viewerCanvas.loadMolecule(caffeine);
