#29 Upload Multiple Molecules to Pyrx

[Tanya Singh]

Hi

I want to upload around 1000 molecules in one go to Pyrx. I am using the shift+ctrl key. But It adds only one. Can you help me to upload multiple molecules in one go to Pyrx

Many Thanks

Tanya

[Sarkis Dallakian]

Thank you for the message. This has been implemented in the latest version of PyRx - https://pyrx.sourceforge.io/blog?start=15

If you are using PyRx version 0.8, you can convert all molecules into sdf and use Open Babel widget in PyRx ti import them.

[Tanya Singh]

Many Thanks Sarkis

I have converted all of them into individual sdf files using Openbabel. But I want to upload all of them in one go rather than importing them one by one. Is this possible in PyRx version 0.8

Tanya

[Sarkis Dallakian]

Hi Tanya,

You are welcome. You'll need to combine sdf files into a single file to load them in one go with PyRx version 0.8.