OpenBabelGUI is a free chemical informatics software tool used to convert chemical file formats. It helps scientists solve compatibility problems between different molecular modeling and simulation programs. The graphical user interface (GUI) provides a friendly click-and-select experience that mirrors the power of the command-line tool.
Here is a simple guide on how to use it for seamless format conversion. 1. Set Up the Input File
Choose the format: Look at the top-left dropdown box labeled “Input Format”. Select the format of your original file (such as PDB, SDF, or SMILES).
Select the file: Click the ”…” button next to the input filename box. Find and select your molecular file.
Review text: The text box below will display the actual contents or code of your file.
Optional paste: If you do not have a file, you can check the box that says “Input below (ignore input file)”. Then, paste a text string like a SMILES code directly into the box. 2. Set Up the Output File
Choose the format: Look at the top-right dropdown box labeled “Output Format”. Select your desired target format (such as MOL2, PDBQT, or XYZ).
Name the new file: Click the ”…” button next to the output filename box to choose where to save your new file and give it a name.
Optional preview: If you just want to see the results without saving a new file, check the box for “Output below only”. 3. Add Conversion Options
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