Posts: 2
Joined: Thu Jun 14, 2018 10:32 am
Occupation: Student

Help with PyRx

Postby lll123 » Sun Jul 01, 2018 9:36 am


I am able to upload macromolecules, but not ligands. After I attempt to upload it, it always reverts back to what it was and says that an error occured. I thought that this was because the file was not in the pdbqt format, but I converted the file using open babel and the same thing happened.

I don't have much experience with Python, and I'm using the free version. I am using PyRx to help me with drug design, and if there is another program that you think would be better I would definitely be open to suggestions.

Posts: 654
Joined: Fri Jun 20, 2014 4:42 pm
Occupation: Biostatistician/Data Scientist

Re: Help with PyRx

Postby MadelineB » Sat Jul 28, 2018 9:20 pm

Hello! Are you doing one of the Science Buddies science projects? If so, would you show the link to that project? If your project is not a Science Buddies project, it would help if you could provide more detail so the experts here can understand the project and try to help you. Thank you for your patience!

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