Thanks for the explanations. I was wondering the rmsd values were different from the values obtained by the match command. Now I realise that Vina uses a different approach. Thanks again, Marco Il 09/01/2020 19:29, Conrad Huang ha scritto:
https://www.researchgate.net/post/What_is_the_importance_rmsd_ub_and_rmsd_lb...
has a good explanation of what they mean.
Conrad
On 1/9/2020 9:54 AM, Marco Sette wrote:
Dear all,
running the Autodock Vina module returns a list of docked compounds. The resulting ViewDock table has 2 colums showing RMSD values.
What they refer?
Thanks for your help,
Best regards,
Marco
-- Dr.Marco Sette, Ph.D. Department of Chemical Sciences and Technology University of Rome, "Tor Vergata" via della Ricerca Scientifica, 00133, Rome, Italy e-mail: sette@uniroma2.it e-mail: m77it@yahoo.it Tel.: +39-0672594424 Fax: +39-0672594328 http://stc.uniroma2.it/?page_id=622&cn-entry-slug=marco-sette