Format-Converter/Format-Converter.xml at master · KIT-Workflows/Format-Converter · GitHub

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<WaNoTemplate>

	<WaNoMeta>
 		<Author>
  			<Name> Celso R. C. Rego </Name>
  			<Email>celsorego@kit.edu</Email>
 		</Author>
		<Description>
		This WaNo uses ASE technology to convert a file from x to y
		format, e.g., .xyz to .cif or vice-versa. See the options below.
 		</Description>
 		<Keyword>format</Keyword>
	</WaNoMeta>

	<WaNoRoot name="Format-Converter">

	<WaNoFile logical_filename="Input-File"  name="Input-File">/home/celso/Wanos_2020/Files-Converter/mol_1.vasp</WaNoFile>
	<WaNoDropDown name="Input-Format">
            <Entry id="0" chosen="True">xyz</Entry>
            <Entry id="1">cif</Entry>
			<Entry id="2">pdb</Entry>
			<Entry id="3">vasp</Entry>
	</WaNoDropDown>

	<WaNoString name="Output-File-Name" description="The file extension will be according to the chosen format"></WaNoString>
	<WaNoDropDown name="Output-Format">
            <Entry id="0" chosen="True">xyz</Entry>
            <Entry id="1">cif</Entry>
			<Entry id="2">pdb</Entry>
			<Entry id="3">vasp</Entry>
	</WaNoDropDown>

	</WaNoRoot>

	<WaNoExecCommand>
		source /home/ws/gt5111/miniconda3/etc/profile.d/conda.sh
		conda activate
		python files_converter.py
	</WaNoExecCommand>
	<WaNoInputFiles>
		<WaNoInputFile logical_filename="files_converter.py">files_converter.py</WaNoInputFile>
	</WaNoInputFiles>

	<WaNoOutputFiles>
		<WaNoOutputFile>{{ wano["Output-File-Name"] + "." +wano["Output-Format"] }}</WaNoOutputFile>
	</WaNoOutputFiles>
</WaNoTemplate>