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User:Karsten Theis/Electron density
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The peaks are mostly around the phosphorous atoms. P has about twice as many electrons as C, N and O, so it is expected to have roughly twice the electron density (and, even more roughly, twice the maximum electron density at the center of the atom). | The peaks are mostly around the phosphorous atoms. P has about twice as many electrons as C, N and O, so it is expected to have roughly twice the electron density (and, even more roughly, twice the maximum electron density at the center of the atom). | ||
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<jmol> | <jmol> | ||
<jmolButton> | <jmolButton> | ||
| - | <script>isosurface s_one sigma | + | <script>isosurface s_one sigma 3.0 color blue within 1.5 {selected} "http://www.ebi.ac.uk/pdbe/coordinates/files/233d.ccp4" mesh nofill</script> |
| - | <text> | + | <text>3 sigma</text> |
</jmolButton> | </jmolButton> | ||
</jmol> | </jmol> | ||
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<jmol> | <jmol> | ||
<jmolButton> | <jmolButton> | ||
| - | <script>isosurface s_one sigma | + | <script>isosurface s_one sigma 1.0 color blue within 1.5 {selected} "http://www.ebi.ac.uk/pdbe/coordinates/files/233d.ccp4" mesh nofill</script> |
| - | <text> | + | <text>1.0 sigma</text> |
</jmolButton> | </jmolButton> | ||
</jmol> | </jmol> | ||
If you don't see your model at 1 sigma, you probably should not put in those atoms. At this level, you see a lot of solvent molecules and a lot of noise. | If you don't see your model at 1 sigma, you probably should not put in those atoms. At this level, you see a lot of solvent molecules and a lot of noise. | ||
Revision as of 11:01, 27 June 2018
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