psdmerge

Merges multiple pharmacophore-screening databases into a single database (see psdcreate).

Synopsis

psdmerge [-hVvpd] [-c arg] [-l arg] [-m arg] -i arg [arg]… -o arg

Mandatory options

-i [ –input ] arg

Input database file(s).

-o [ –output ] arg

Output database file.

Other options

-h [ –help ] [=arg(=SHORT)]

Print help message and exit (ABOUT, USAGE, SHORT, ALL or ‘name of option’, default: SHORT).

-V [ –version ]

Print version information and exit.

-v [ –verbosity ] [=arg(=VERBOSE)]

Verbosity level of information output (QUIET, ERROR, INFO, VERBOSE, DEBUG, default: INFO).

-c [ –config ] arg

Use file with program options.

-l [ –log-file ] arg

Redirect text-output to file.

-p [ –progress ] [=arg(=1)]

Show progress bar (default: true).

-m [ –mode ] arg

Database merge mode (CREATE, APPEND, UPDATE, default: APPEND).

-d [ –drop-duplicates ] [=arg(=1)]

Drop duplicate molecules (default: false).