Support for bond orders

Jmol supports bond orders (i.e., different from single bonds).

File formats that specify bond order --and Jmol recognizes as such:

• MOL
• PDB can do it using a trick: specify twice each CONNECT record for a double bond.

Jmol commands that assign bond order:

• connect accepts 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	n/a
3	triple	3
4	quadruple	n/a

Note :

Contributors

AngelHerraez, NicolasVervelle