usage: mirror.py [-h]
[-if {xyz,log,com,gjf,sd,sdf,mol,mol2,out,dat,fchk,crest,xtb,sqmout,47,31,qout}]
[-o output destination] [-yz] [-xz] [-xy]
[input file [input file ...]]
mirror a molecular structure
positional arguments:
input file a coordinate file
optional arguments:
-h, --help show this help message and exit
-if {xyz,log,com,gjf,sd,sdf,mol,mol2,out,dat,fchk,crest,xtb,sqmout,47,31,qout}, --input-format {xyz,log,com,gjf,sd,sdf,mol,mol2,out,dat,fchk,crest,xtb,sqmout,47,31,qout}
file format of input - xyz is assumed if input is stdin
-o output destination, --output output destination
output destination
$INFILE will be replaced with the name of the input file
Default: stdout
plane:
-yz, --yz-plane mirror across the yz plane (default)
-xz, --xz-plane mirror across the xz plane
-xy, --xy-plane mirror across the xy plane