Write Structure

Description

Write a single structure or a trajectory to a chemistry data file in the selected format.

Input Ports

structure_in MoleculeType Molecular structure data to be written out.

Parameters

Select file format list Select the format of the file to be written. The available formats are listed on the STM4 web page.

File file browser The file name to be written to.
Overwrite toggle Enable silent overwriting of the output file.
Write mode selection radio buttons Select how structures are written. Possible values are:
Disabled
The writer is disabled.
Single
The structure is written when the Write button is pushed.
Animation
The trajectory frames are appended to the output file as soon as the y arrive at the structure_in port.
Status line label Messages from the writer.
Writer controls panel Controls for the specific format selected.

Output Ports

None
Return to index