Difference between revisions of "Support for bond orders"
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Revision as of 15:00, 3 October 2007
Jmol supports bond orders (i.e., different from single bonds).
File formats that specify bond order --and Jmol recognizes as such:
Jmol commands that assign bond order:
connectaccepts parameters (see table below)bondOrder(new in Jmol 11.3.x) accepts parameters (see table below)
Visualization of non-single bonds can be supressed (all will show as single) if
set showMultipleBonds off is issued.
| bond order | Jmol syntax | bond type in MOL file |
|---|---|---|
| 0.5 | hBond | n/a |
| 0.5 | partial | 8 |
| 1 | single | 1 |
| 1.5 | partialDouble | 5 |
| 1.5 | aromatic | 4 |
| 2 | double | 2 |
| 2.5 | partialTriple [1] | n/a |
| 3 | triple | 3 |
| 4 | quadruple | n/a |
Note :
- ↑ starting Jmol 11.3.28
