Jmol Virtual Molecular Model Kit

Molecular Editor

Start with: ethane ethene ethyne cyclohexane benzene NIH
Append: ethane ethene ethyne cyclohexane benzene NIH
Compare: duplicate compare   Query NIH: name smiles molfile
Model: move measure correct-H   optimize: Jmol NIH off
Atoms: ? In addition to atom click/replace actions, click/dragging between atoms will connect atoms. Click/dragging into empty space will extend a branch by adding the selected atom. C H N O S P F Cl Br X delete invert drag    fc: inc dec
Bonds: break single double triple increase rotate   picking: off
Utility: size zoomIn zoomOut reload erase
Problems: examples menu check endSession

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Feedback Area & Script Command Field: Run Script

  

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Jmol Virtual Molecular Model Kit

Model Image Capture

Jmol 3D Capture | NIH 2D Capture

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Jmol Virtual Molecular Model Kit

Model Tools

  

Atom Colors: ; all atoms cpk
Style: wireframe; ball&stick; background color
Clean-up: erase; clear; reset; reload  Load New: menu
Surfaces: van der Waals; MEP (MM and MO files only)
MO: homo; lumo; previous; next (MO files only)
Useful Animation Scripts
   Cyclohexane Chair Flip | S_N2 Walden Inversion
   Ethane C-C Rotation | Load 2 Square Planar CH₄

Assembled Model Library Select Menus

18-crown-61-aminopentane1-bromobutane1-butanol1-butene2,6-dimethyl-4-heptanone2-butanol2-butanone2-butene (E)2-butene (Z)2-chlorobutane (R)2-chloroethyl vinyl ether2-octanol2-octanone3-bromopropene3-chloropropene3-methyl-2-butanone3-pentanoneacetamideacetic anhydrideacetoneacetonitrileacetophenoneacrylamideadamantanealleneamygdalinaziridineazulenebenzaldehydebenzenebenzoic acidbenzophenonecaffeinecarbon dioxidecholesterolcinnamaldehydecyclohexanecyclohexanonediaminohexanedichloromethanediethyl etherdiethylamineethaneethanoic acidethanoletheneethyl acetateethylamineethynefluorenefructoseglucosegly-alaglycerolhydrogen chloridemaleic anhydridemethanalmethanemethanoic acidmethanolmethyl benzoatemethyl salicylatemethylaminenapthalenephenolpinenepolyglycineporphinepropanalpropanoic acidpropynepyrrolesuccinic acidsucrosesulfur dioxidesulfur trioxidetoluenetriethylaminevinyl acetate

1-butene2-methyl-2-butyl cation2-methyl-2-butyl cation2-methylbutane2-methylpentane2-methylpropane3-methyl-2-butyl cation3-methyl-2-butyl cationacetonealleneallyl anionallyl anionallyl cationallyl cationallyl radicalallyl radicalanisolebenzaldehydebenzenebenzyl cationbenzyl cationbuta-1,3-dienecarbon dioxidecarbon monoxidecis-2-butenecisoid-1,3-butadienecyclopentadienyl anioncyclopentadienyl cationcyclopentadienyl radicalcyclopropenyl cationethaneetheneethyl cationhydrogenhydrogen cyanideisopreneisopropyl cationisopropyl cationmethanemethanolmethyl cationmethyl cationmethylvinylketonenitrobenzenenitrogenoxygenpropenepyrimidinet butyl cationt butyl cationtoluenetrans-2-butene

MM Load

MO Load

NIST Spectral Data for MM Models

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JME Structure Drawing Applet
Courtesy of Peter Ertl, Novartis

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