Invoking APBS¶
Unless invoked by PDB2PQR or another software package (see Other software), most APBS calculations are performed from the command line by running an APBS input file through the APBS program.
As mentioned in the installation and availability section, the main APBS binary is installed in ${APBS_PREFIX}/bin
where ${APBS_PREFIX}
is the top-level directory you chose for the installation.
You can move the binary to any directory you choose.
APBS is invoked with a very simple syntax:
apbs [options] input-file
where the list of [options]
can be obtained by running APBS with the --help
option.
The input file format is described in APBS input files.