I need a single file containing coordinates of all the geometries that is formatted for convenient viewing. I want to concatenated the coordinates for all computational structures into a single file. For that I need to create a multiple xyz file. How should I prepare a multiple xyz file?
Dear Vilakkathala U Krishnapriya I used Chat GPT to answer of your question. Could you tets the relevance of this answer?
"To create a multiple XYZ file in ChemCraft, you can use the "File" menu and select "New" or "Open" to create or open a new file. Once you have a new file open, you can use the "File" menu again and select "Save As" to save the file as an XYZ file.
You can also use the "Import" option in the "File" menu to import a different file format, such as a PDB or MOL file, and then convert it to an XYZ file.
Another way of creating a multiple XYZ file would be to use the "Append" option from "File" menu and select the XYZ files which you want to merge.
It is important to note that in order to create a multiple XYZ file, all the XYZ files you want to merge must have the same number of atoms and the same atom ordering, otherwise, the merge may not work as expected.
In summary, to create a multiple XYZ file in ChemCraft, you can use the "File" menu and select "New" or "Open" to create or open a new file, then use the "Save As" option to save the file as an XYZ file, use "Import" option to import a different file format and convert it to an XYZ file or use "Append" option to merge multiple XYZ files that have the same number of atoms and the same atom ordering."
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