Synopsis

SaveAsPDB [-chV] [--cp] [--wd] [--esv=file] [--fs=-1] [--ls=-1] [--si=1] file

Description

Save the system as a PDB file.

Options

-c, --constrain

Apply geometric constraints before saving.

--cp, --copyProperties

Copy the property file to numbered subdirectories (ignored if not writing to subdirectories).

--esv=file

PDB file to build extended system from.

--fs, --firstSnapshot=-1

First snapshot to write out (indexed from 0).

-h, --help

Print command help and exit.

--ls, --lastSnapshot=-1

Last snapshot to write out (indexed from 0).

--si, --snapshotIncrement=1

Increment between written snapshots.

-V, --version

Print the Force Field X version and exit.

--wd, --writeToDirectories

Write snapshots to numbered subdirectories.

Arguments

file

The atomic coordinate file in XYZ or ARC format.