Re: [PyMOL] Refinement in auto_sculpt

[mathieu c. <mat...@um...>]

Hi,

i just set auto_sculpt and after I protect all my protein but the=
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residue (group of residues) i want to sculpt. I wrote several .pml to=
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switch to the next residue or deprotect only the side_chain,fix an at=
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  (protect pk1) etc... that I call from the script_box (see the links=
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the web-site).
It works really well for me it's twice faster than with O (but i'm no=
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really good with O).

Thanks to warren for this software.

Jim Nettles a =E9crit :
> Hello all,
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> Perhaps I'm awaking from hibernation or something, but the communic=
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> below came as a surprise to me.
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> Do I read this correctly that Pymol does real space refining into=
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> electron density using the sculpting function? If so, that is great=
! I=20
> apologize if this has been discussed before and I missed it. Could=
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> someone please clue me in as to how to best use this function?
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> Thanks,
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> Jim Nettles
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> On Aug 30, 2005, at 8:33 AM, Warren DeLano wrote:
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>     Mathieu,
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>     Deselect Sculpting from the builder menu or "unset sculpting"
>     =20
>     Note that if you're doing this a lot, then create some custom o=
n/off
>     function keys as follows:
>     =20
>     # F1 to turn on sculpting
>     cmd.set_key('F1',lambda :(cmd.set("sculpting"),cmd.set("auto_sc=
ulpt")))
>     =20
>     # F2 to turn off sculpting
>     cmd.set_key('F2',lambda
>     :(cmd.unset("sculpting"),cmd.unset("auto_sculpt")))
>     =20
>     Cheers,
>     Warren
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>     *From:* pym...@li... on behalf of Ma=
thieu
>     Coincon
>     *Sent:* Mon 8/29/2005 8:26 AM
>     *To:* pym...@li...
>     *Subject:* [PyMOL] Refinement in auto_sculpt
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>     Hi,
>     i'm usinig pymol for modelling my protein in electron density.
>     I like it very much but there is one thing I would like to unde=
rstand.
>     Is there a way to stop the refinement of the geometry:
>         I'm using auto_sculpt and I protect/deprotect the protein b=
ut
>     sometimes the
>     refinemt run during a long time I would like to stop it ? i pla=
yed
>     with the
>     number  of cycles and other parameters but it didn't work.
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