exp — APBS-PDB2PQR 1.6 documentation

# exp

This keyword can be used to load in the expansion matrices from files. They will have been previously generated, and will be named `molm.H, F.[s].exp` (see pbam-auto for more information). The syntax is:

    exp {prefix}

where `prefix` is the filename prefix `molmsph`. The H or F and `s.bin` will be appended during the program run.

Todo

It would be better to generalize the READ input file section section of the input file rather than use the `exp` command. This command also needs to be cleaned up – it’s too fragile. Documented at https://github.com/Electrostatics/apbs-pdb2pqr/issues/489