Hi, I’m wondering if it’s possible to download results from MTi OpenScreen so that we can visualize the individual protein-ligand structures in a different viewer? I saved the results in pdbqt and mol2 formats using the buttons on the web page, but when I opened the files in Chimera or Pymol, it just appears to be all of the ligands overlaid on each other. Ideally, we would like to have a single ligand in the protein structure as a pdb file so we could look at it that way. Is this possible? And if so, what is the best way to do it?
Finally, I also wanted to mention how much I appreciate the application. I’m an organic chemist and I teach an undergraduate course on drug discovery. My students have enjoyed learning about virtual screening using this software.
Sincerely,
Todd Ryder
Southern Connecticut State University
New Haven, CT 06515 USA
rydert1@southernct.edu
Session information:
- id: P01069005065918
- email: None
- activated?: True
- authenticated?: False
Job information:
- id: https://mobyle.rpbs.univ-paris-diderot.fr/data/jobs/MTiOpenScreen/D20142540621996
- date: Mon, 05 Apr 2021 20:16:24 +0000
- status: finished
- user error in parameter: None
- user error message: None