The Structure Checker Application is an easy-to-use, high-end graphical user interface (GUI). This GUI allows you to reach all the functionalities of Structure Checker. The Structure Checker Application will provide you a friendly way to check your chemical structures with guides for each task you may encounter.
Assuming that the Marvin package is installed with creating shortcuts to Desktop or to the Start Menu, double-clicking on the appropriate icon will open the Structure Checker Application:
General layout of the Structure Checker Application
In this step you define the files to be checked and fixed. Click on the Browse button on the right side to add your input file that contains the chemical structures.
Click on Add more files to add further files or multiple files at a time. Select one or more files (Shift or Ctrl + mouse click) and click Open. You can add unlimited number of files but remember, the output will be written to only one file.
To view the structures of the selected input file. click.
To remove a file from the list, click onbutton in line with file.
Click Next to proceed to the next step.
In this screen you can see two panels. On the left, all available checkers are listed in alphabetical order. For creating your checklist, select the actions you want to perform and click the Add button to transfer it to your checklist, i.e., into the right panel.
Removal of any element from the list is similarly easy: click the item(s) in the right panel first, then the Remove button between the two panels. Click on Remove All if you want to remove all elements from the list.
Visit Creating a Configuration to learn more about the Configure Checkers window!
On the next screen you can select Operation mode and specify your Report options.
Each error and issue is recorded in the report logged during the checking and fixing procedure.
csvformat containing statistics and a detailed list of detected problems.
Click Next to proceed.
Set your output options on the next screen
Before running Structure Checker, you can review your settings.
In this page, you can see the confirmation of input and output files, operation mode, and report options before starting the checking/fixing process. To change any of these settings:
To perform structure check, click Run .
After Structure Checker has finished checking the given chemical structures, a summary sheet appears displaying details on the process.