This script enables you to search SpotRM to identify the structural features of your molecules that might lead to the formation of reactive metabolites. Learn more about SpotRM.
The search returns the most important structural alerts identified along with their severities, plus links to short monographs and literature resources that describe the adverse drug effects associated with the alert. To use this tool, you will need login credentials which are supplied at the SpotRM registration site.
Please note that any compound structures used in a query will be passed to the SpotRM servers. These data will be sent using a secure connection (i.e. transmitted via HTTPS). You can learn more from the SpotRM data security overview.
Version
Please note: These scripts are compatible with StarDrop 7.3, or more recent versions, for either Windows or MacOS. To find out which version you have installed, start StarDrop and select the Help->About menu. If you are using an older version of StarDrop, please contact support@optibrium.com and we will be happy to provide download details.
Installing and using the script
macOS with .zip file
- Ensure that you have saved your work and close StarDrop
- Download the file StarDrop Script – SpotRM.zip
- In your user area, navigate to the StarDrop folder (~/StarDrop/py3)
- Extract the contents of the zip file into this folder overwriting any existing files
- You should now see a folder called SpotRM and a folder called Utils in the py3 folder
- Restart StarDrop
Windows with .exe file
- Ensure that you have saved your work and close StarDrop
- For 64-bit Windows, download the file StarDrop Script – SpotRM.exe
- When the download is complete, double-click the file to run it and follow the instructions (we recommend that you accept the default options provided)
- Restart StarDrop
You must first register for a SpotRM username and password at spotrm.com. Registration gives you 24 hours free access but also triggers the licensing dialogue with Awametox AB who developed the site. Having registered, click on the Custom Scripts->SpotRM analysis menu item in StarDrop to run the SpotRM alerts search for the molecules in your dataset.
The first time you start a search, you will be prompted to log in, but you’ll only need to do this once in each StarDrop session or after an hour’s inactivity to refresh your credentials.
Installation files
macOS with .zip file
- Ensure that you have saved your work and close StarDrop
- Download the file StarDrop Script – SpotRM.zip
- In your user area, navigate to the StarDrop folder (~/StarDrop/py3)
- Extract the contents of the zip file into this folder overwriting any existing files
- You should now see a folder called SpotRM and a folder called Utils in the py3 folder
- Restart StarDrop
Windows with .exe file
- Ensure that you have saved your work and close StarDrop
- For 64-bit Windows, download the file StarDrop Script – SpotRM.exe
- When the download is complete, double-click the file to run it and follow the instructions (we recommend that you accept the default options provided)
- Restart StarDrop
How to use the script
You must first register for a SpotRM username and password at spotrm.com. Registration gives you 24 hours free access but also triggers the licensing dialogue with Awametox AB who developed the site. Having registered, click on the Custom Scripts->SpotRM analysis menu item in StarDrop to run the SpotRM alerts search for the molecules in your dataset.
The first time you start a search, you will be prompted to log in, but you’ll only need to do this once in each StarDrop session or after an hour’s inactivity to refresh your credentials.