PSIZE(1) | PDB2PQR Manual | PSIZE(1) |
NAME¶
psize - Get dimensions and other information from PQR filesSYNOPSIS¶
psize
[ --cfact=value] [--fadd=value]
[--space= value] [--gememfac=value]
[ --gememceil=value] [--ofrac=value]
[ --redfac=value] {pqrfile}
psize
{ --help | -h}
DESCRIPTION¶
OPTIONS¶
psize accepts the following options: --help, -hPrint a help message and exit.
--cfact=value
Factor by which to expand the molecule
dimensions to get the coarse grid dimensions
--fadd=value
Amount to add to the molecule dimensions to
get the fine grid dimensions.
--space=value
Desired fine mesh resolution.
--gememfac=value
Number of bytes per grid point required for
sequential MG calculation.
--gememceil=value
Maximum MB allowed for sequential MG
calculation. Adjust this to force the script to perform faster calculations
(which require more parallelism).
--ofrac=value
Overlap factor between mesh partitions.
--redfac=value
Maximum factor by which a domain dimension can
be reduced during focusing.
SEE ALSO¶
apbs(1), pdb2pqr(1)AUTHOR¶
Manuel Prinz <debian@pinguinkiste.de>Wrote this manpage for the Debian
System.
COPYRIGHT¶
Copyright © 2008 Manuel Prinz2008-06-04 | psize |