imat — APBS-PDB2PQR 1.6 documentation

# imat

This keyword can be used to load in the surface integral matrices previously generated by PB-SAM named as `molmsphs.bin` for molecule ID s and coarse-grained sphere s (see pbam-auto for more information). The syntax is:

    imat {prefix}

where `prefix` is the filename prefix `molmsph`. The `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 `imat` command. This command also needs to be cleaned up – it’s too fragile. Documented in https://github.com/Electrostatics/apbs-pdb2pqr/issues/495