Re: [rDock-list-def] Flexible docking

[Sergio R. C. <sru...@gm...>]

Dear Oscar,

rDock only takes into account full flexibility for the ligand.
However, terminal OH and NH3+ groups within RECEPTOR_FLEX distance of the
cavity defined will also be considered as flexible.
In section 8.1 of the documentation you have some more details about this
parameter:

RECEPTOR FLEX: Defines terminal OH and NH3+ groups within this distance of
docking volume as flexible. (default: 0, reasonable value: 3)

Best,

Sergio Ruiz


2015-05-19 12:03 GMT+02:00 Oscar Huertas <hu...@so...>:

> Hi all!
>
> I would like to know if is possible to run docking leaving some residues
> of the protein flexible or if is only possible with rigid protein.
>
> Thank you in advance for your answer.
>
> Oscar
>
>
>
>
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