Yes, it's called a "partial structure". You input the mask as
structure factors and call them "FPART" in the refmac LABIN input.
http://www.ysbl.york.ac.uk/refmac/docs/keywords/xray-principal.html#labin_fparti_phiparti
Then enable refining the scale and B factor of the partial structure:
http://www.ysbl.york.ac.uk/refmac/docs/keywords/xray-general.html#scpa
pay attention to the scale and B assigned to the partial structure in
the refmac log. If it blows up (or down) then something is wrong.
Also, don't forget to turn off the built-in solvent with "SOLVENT NO"
when you do this.
http://www.ysbl.york.ac.uk/refmac/docs/keywords/xray-principal.html#solv
You can actually add multiple partial structures and scale them
independently, but in my hands things start to get crazy if you have
more than 2.
-James Holton
MAD Scientist
On Wed, Sep 26, 2012 at 11:45 AM, Kiran Kulkarni
<[log in to unmask]> wrote:
> Dear CCP4 users,
>
> Is it possible to specify a solvent mask to the refmac ?
>
> Many thanks in advance for your time and help.
>
> Regards,
> -Kiran
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