Structure File Converter Panel

Read structures from a structure file in one format, and write them out to another file in another format. The allowed formats are Maestro, PDB, SD, SMILES, MOL2, and CIF, with any of the usual file extensions.

To open this panel: click the Tasks button and browse to Project Table and Project Operations → Structure File Converter.

  • Features
  • Additional Resources

Structure File Converter Panel Features

Input file text box and Browse button

Enter the name of the file that you want to read structures from in this text box, or click Browse and navigate to the file. The file name must include the extension, which determines the file type. The file type is checked against the output file type, and a message is displayed in the status bar to indicate whether the conversion is allowed or not.

Structures to convert options

Specify the range of structures to convert. If you select All, all structures are converted from the input file. If you deselect All, you can specify the range of structures to convert in the Range text boxes.

Output file text box and Browse button

Enter the name of the file that you want to write structures to in this text box, or click Browse and navigate to the file. The file name must include the extension, which determines the file type. The file type is checked against the input file type, and a message is displayed in the status bar to indicate whether the conversion is allowed or not.

Append to existing file option

Select this option to append the structures to an existing file. Otherwise any existing file is overwritten. This option is only available if the output file already exists. You must make sure it has write permission.

Reset button

Reset all the panel settings to their defaults.

Convert button

Perform the file format conversion. The conversion is run immediately, not under job control.

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