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User:Wayne Decatur/mof dev
From Proteopedia
< User:Wayne Decatur(Difference between revisions)
(improve lattice scene) |
(add additional spacefill toggle) |
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When the repeats of this 4-connected network building block are shown connected to others, the crystalline lattice appears.<br/> | When the repeats of this 4-connected network building block are shown connected to others, the crystalline lattice appears.<br/> | ||
| - | Viewing the <scene name='10/1092924/Csd_entry_jarmeu_1x1x3_set/4'>the CSD entry JARMEU as a | + | Viewing the <scene name='10/1092924/Csd_entry_jarmeu_1x1x3_set/4'>the CSD entry JARMEU as a 1x3x3 set of the metal organic framework</scene> illustrates this.<br/> |
The large cavities are visible as the lattice layers onto itself as the view of the structure rotates. <br/> | The large cavities are visible as the lattice layers onto itself as the view of the structure rotates. <br/> | ||
The cavities would contain anions and solvent that are not shown in this crystal structure as they'd be freely moving and randomly distributed. | The cavities would contain anions and solvent that are not shown in this crystal structure as they'd be freely moving and randomly distributed. | ||
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<scene name='10/1092924/Csd_entry_jarmeu_lattice/4'>The CSD entry JARMEU as a 1x4x6 lattice of the metal organic framework</scene>. | <scene name='10/1092924/Csd_entry_jarmeu_lattice/4'>The CSD entry JARMEU as a 1x4x6 lattice of the metal organic framework</scene>. | ||
| - | <scene name='10/1092924/Csd_entry_jarmeu_lattice/5'>Restrict to only the central cell of the 1x4x6 lattice</scene>. | ||
<jmol> | <jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
| - | <scriptWhenChecked> | + | <scriptWhenChecked>hide all and not cell=555;</scriptWhenChecked> |
| - | <scriptWhenUnchecked> | + | <scriptWhenUnchecked>display all;</scriptWhenUnchecked> |
<checked>false</checked> | <checked>false</checked> | ||
<!-- <checked></checked> set it to false or delete it or comment it out as <checked>false</checked> or <checked> </checked>still show as checked--> | <!-- <checked></checked> set it to false or delete it or comment it out as <checked>false</checked> or <checked> </checked>still show as checked--> | ||
| - | <text>Toggle | + | <text>Toggle to limit to what is in just key cell vs. current lattice network context</text> |
| + | </jmolCheckbox> | ||
| + | </jmol> | ||
| + | |||
| + | <jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>select all; spacefill on;</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>select all; spacefill 0.35; select hydrogen; spacefill 0.25;</scriptWhenUnchecked> | ||
| + | <checked>false</checked> | ||
| + | <!-- <checked></checked> set it to false or delete it or comment it out as <checked>false</checked> or <checked> </checked>still show as checked--> | ||
| + | <text>CPK Spacefll mode</text> | ||
</jmolCheckbox> | </jmolCheckbox> | ||
</jmol> | </jmol> | ||
Current revision
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References
- ↑ B.F. Hoskins and R. Robson. 1989. Infinite polymeric frameworks consisting of three dimensionally linked rod-like segments. Journal of the American Chemical Society, v111, pg. 5962-5964, |DOI: 10.1021/ja00197a079
- ↑ https://www.nobelprize.org/uploads/2025/10/advanced-chemistryprize2025.pdf
