CLI Command Reference¶

Command	Page
`pdb2reaction add-elem-info`	add-elem-info
`pdb2reaction all`	all
`pdb2reaction bond-summary`	bond-summary
`pdb2reaction dft`	dft
`pdb2reaction energy-diagram`	energy-diagram
`pdb2reaction extract`	extract
`pdb2reaction fix-altloc`	fix-altloc
`pdb2reaction freq`	freq
`pdb2reaction irc`	irc
`pdb2reaction opt`	opt
`pdb2reaction path-opt`	path-opt
`pdb2reaction path-search`	path-search
`pdb2reaction scan`	scan
`pdb2reaction scan2d`	scan2d
`pdb2reaction scan3d`	scan3d
`pdb2reaction trj2fig`	trj2fig
`pdb2reaction tsopt`	tsopt