Is energy minimization possible in MODELLER?
Hi dear MODELLER users,
I made a good homology model with MODELLER, it's showing good credibility in all the programs in SAVES server, but I want to do an energy minimization before I go for docking some small ligands onto it.
Please let me know if it is possible in MODELLER?
Regards, Arijit
On 3/13/15 9:06 PM, Arijit Ghosh wrote: > I made a good homology model with MODELLER, it's showing good > credibility in all the programs in SAVES server, but I want to do an > energy minimization before I go for docking some small ligands onto it. > > Please let me know if it is possible in MODELLER?
Modeller models are already minimized against its own scoring function. You could certainly try to do further minimization using a different scoring function, but it's debatable whether that would "improve" models.
Ben Webb, Modeller Caretaker
participants (2)
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Arijit Ghosh
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Modeller Caretaker