Automatic bond order perception for UCSF Chimera using several backend engines:
- RDKit
- OpenBabel
- ...
It is also able to depict them, as long as each Bond object contains an order attribute. This can come from the aforementioned backends, or directly from the original molecule file (mol2 files, Gaussian outputs, etc).
Commands implemented:
- bondorderdraw [molecule]
- bondorderread [molecule] [format]
- bondordercalc [molecule] [engine]