NAME

       inputgen - manual page for inputgen 3.6.1+dfsg

DESCRIPTION

       usage: inputgen [-h] [--asynch] [--split] [--potdx]

              [--method  {para,auto,manual,async}]  [--cfac  CFAC]  [--fadd FADD] [--space SPACE]
              [--gmemfac  GMEMFAC]  [--gmemceil  GMEMCEIL]  [--ofrac  OFRAC]  [--redfac   REDFAC]
              [--istrng ISTRNG] filename

       PDB2PQR  v3.6.1:  biomolecular  structure  conversion  software. inputgen: generating APBS
       input files since (at least) 2004

   positional arguments:
              filename

   options:
       -h, --help
              show this help message and exit

       --asynch
              perform an asynchronous parallel calculation.  (default: False)

       --split
              split an existing parallel input file to  multiple  async  input  files.  (default:
              False)

       --potdx
              create an input to compute an electrostatic potential map. (default: False)

       --method {para,auto,manual,async}
              force output file to write a specific APBS ELEC method. (default: None)

       --cfac CFAC
              factor  by  which  to  expand  molecular  dimensions to get coarse grid dimensions.
              (default: 1.7)

       --fadd FADD
              amount to add to molecular dimensions to get fine grid dimensions. (default: 20.0)

       --space SPACE
              desired fine mesh resolution (default: 0.5)

       --gmemfac GMEMFAC
              number of bytes per grid point required for  sequential  MG  calculation  (default:
              200)

       --gmemceil GMEMCEIL
              max  MB  allowed  for sequential MG calculation; adjust this to force the script to
              perform faster calculations (which require more parallelism) (default: 400)

       --ofrac OFRAC
              overlap factor between mesh partitions (parallel) (default: 0.1)

       --redfac REDFAC
              the maximum factor by which a domain  dimension  can  be  reduced  during  focusing
              (default: 0.25)

       --istrng ISTRNG
              Ionic strength (M); Na+ and Cl- ions will be used (default: None)