[Chimera-users] local docking

[Yanhe Zhao]

Hi Elaine,

Thanks a lot for the reply. I done sequential fitting of 3 models which is
looking good. I will play with the way you mentioned to see whether I can
get it better.

Have good night,
Yanhe

Elaine Meng <meng at cgl.ucsf.edu> 于2021年9月8日周三 下午8:05写道：

> Hi Yanhe,
> The "fitmap" command with sequential fitting ("sequence" option) will
> fit/move all of the specified models.  There is no option to keep one model
> fixed and move only the other ones.
> <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/fitmap.html>
> <
> https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/fitmap.html#sequence
> >
>
> Also, there is no fitmap option to limit the amount of translation or
> rotation.  Instead there is only an option to turn off translation
> completely (shift false) or turn off rotation completely (rotate false).
> <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/fitmap.html#shift
> >
>
> A longer method might be to first fit one model, then simulate a map from
> it with "molmap" and then subtract the molmap result from the original map
> with "vop subtract," and then use a separate "fitmap" command (with
> "sequence" if you want to sequentially fit the other two).
> <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/molmap.html>
> <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/vop.html#subtract
> >
>
> I hope this helps,
> Elaine
>
>
> > On Sep 8, 2021, at 5:40 PM, Yanhe Zhao via Chimera-users <
> chimera-users at cgl.ucsf.edu> wrote:
> >
> > Greeting,
> >
> > I tried sequential fitting to fit 3 models to my maps. I was wondering
> that if I want to fix one model and do local fitting of another models with
> limited shift and rotation, what command with options should I use?
> >
> > Thanks and regards,
> > Yanhe
>
>
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