Hello Thripthi S. , Given the information you provide, it is quite difficult to figure out what your issue is with VINA. If you provide me the data (receptor, ligand, and box), I can do some tests, to see what's happening. In VINA, *pdbqt files for both receptor/ligand are the most tricky part to parameterize before performing the docking *per se.*
On the other hand, Maestro is more friendly software and straightforward than VINA. Best regards, Bruno El dom, 19 nov 2023 a las 13:35, Thripthi Shenoy (<thripthishe...@gmail.com>) escribió: > Greetings to all, > > I have performed docking through Glide and Autodock vina for a protein > for which the active site has been taken from the literature. Glide is able > to dock the compounds correctly in the active site whereas autodock vina > does not dock the compounds within the specified site. I have tried docking > several times in Autodock vina, but not able to obtain proper results. > I would be grateful to receive any suggestions regarding the same. > > Thanking you in advance, > Thripthi S. > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
