oniomANALYSIS is a TCL script that allows an easy way to extract data and handling output files from Gaussian 09 calculations.
The script allows get informations about energy about low a high levels in hybrid systems (ONIOM). In this option, scripts generates two files:
Energy of all structures
Energy of all optimized structures
oniomANALYIS allows also extract the first and last structures and write them in a new input Gaussian files in order to run a following calculation recurring to a previous calculation. In this case two files will be generated:
Gaussian input file of first structure
Gaussian input file of last structure
Moreover, you could also extract PDB files from Gaussian output files:
PDB file with all structures
PDB file with all optimized structures
PDB file with last structure
PDB file with last optimized structure
How to use?
Insert follow command in shell:
tclsh oniomANALYSIS.tcl [A] [B]
[A] is a flag which defines what type of job is going to be perfomed: