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SaveAsPDB(1)

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.