Dear Cristina, You should probably ask the SwissDock people, since we don’t know the details of what their server requires. I’m guessing you are using this website: <http://www.swissdock.ch/docking> Also they probably wouldn’t be able to tell you anything either unless you include the file you were trying to upload. The ligand should probably be a small molecule and not contain metals or rare elements, but that’s just my guess. I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Dec 18, 2018, at 1:43 AM, Gonzalez Fernandez, Cristina <cristina.gonzalezfdez@unican.es> wrote:
Dear Chimera users,
I want to perform molecular docking by using Swiss Dock. Therefore, I have used Chimera to remove the molecules that I don’t want from the PDB file, add hydrogens and save as mol2. However, when I tried to upload the mol2 file in SwissDock I get this error: “Ligand setup failed. Please check that your structure file has a correct topology. No extra info available”.
Does anyone know what I am doing wrong?
Thank you in advance, C.