printXYZ.py

usage: printXYZ.py [-h] [-o OUTFILE]
                   [-if {xyz,log,com,gjf,sd,sdf,mol,mol2,out,dat,fchk,crest,xtb,sqmout,47,31,qout}]
                   [-c COMMENT] [-a]
                   [input file [input file ...]]

print structure in xyz format

positional arguments:
  input file            a coordinate file

optional arguments:
  -h, --help            show this help message and exit
  -o OUTFILE, --output OUTFILE
                        output destination
                        $INFILE will be replaced with the name of the input file
                        Default: stdout
  -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
  -c COMMENT, --comment COMMENT
                        comment line
  -a, --append          append structures to output file if it already exists
                        Default: false