RE: [PyMOL] conformational states in the mutagenesis wizard

[Warren D. <wa...@de...>]

> I beleive the mutagensis wizard in the newer ( > 0.98) will=20
> incorporate the Dunbrack library in some way or another.

Indeed:  the mutagenesis wizard in the latest betas incorporates the
full bb-independent rotamer library and a sampled subset of the
bb-dependent library covering populated regions of ramachandran space.
http://delsci.com/beta


Cheers,
Warren

--
Warren L. DeLano, Ph.D.                    =20
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> -----Original Message-----
> From: pym...@li...=20
> [mailto:pym...@li...] On Behalf Of Dan Kulp
> Sent: Thursday, September 08, 2005 9:31 AM
> To: Xavier Deupi
> Cc: pym...@li...
> Subject: Re: [PyMOL] conformational states in the mutagenesis wizard
>=20
> Hey,
>     The rotamer toggle script originally loaded the Dunbrack=20
> Backbone-Dependent rotamer library upon PyMOL startup. =20
> However, I've changed it so that it will get loaded the first=20
> time you try to access the rotamer menu instead.  The code is=20
> fixed on www.PyMOLwiki.org .  Now PyMOL will start at regular=20
> speed. Thanks for the catching the 'bug' Xavier.
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> I beleive the mutagensis wizard in the newer ( > 0.98) will=20
> incorporate the Dunbrack library in some way or another.
>=20
> ~Dan Kulp
>=20
> Xavier Deupi wrote:
>=20
> > Hi,
> >
> > I've just realized that through the mutagenesis wizard you can=20
> > view/select different conformations for a sidechain. I've=20
> been playing=20
> > around, and it seems that the conformations are selected=20
> according to=20
> > a backbone-independent rotamer library. Am I correct? Which library=20
> > has been used?
> >
> > I would also like to know if there is anybody out there using the=20
> > rotamer toggle plugin. I've just installed it, and although=20
> it seems=20
> > extremely useful, it makes PyMOL very slow to start. I'm=20
> running PyMOL
> > 0.98 for MacOSX in a PowerBook G4 1GHz with 1Gb of RAM=20
> (running MacOS=20
> > X 10.4.2)
> >
> > Thanks in advance,
> >
> > Xavier
> >
>=20
>=20
> --=20
>    Dan Kulp
>    Biophysics Graduate Student @ UPenn
>    dw...@ma...
>    http://dwkulp.homelinux.net/tiki/tiki-index.php
> --
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