Thanks, Jason, it works. :)
Li
On Sun, Sep 12, 2010 at 5:40 PM, Jason Vertrees <
jason.vertr...@schrodinger.com> wrote:
> Hi Li,
>
> I created a small python script "testAlign.py" with the following 3
> lines as its content:
>
> cmd.fetch("1cll 1ggz", async=0)
> rmsd = cmd.align("1cll", "1ggz")[0]
> print "RSMD for aligning 1cll to 1ggz is: ", rmsd
>
>
> This fetches two PDBs, aligns them and reports their RMSD. Now, just
> run "pymol -cq testAlign.py" and you should see
>
> RSMD for aligning 1cll to 1ggz is: 3.85577607155
>
> as the last line of output.
>
> Cheers,
>
> -- Jason
>
>
> On Sun, Sep 12, 2010 at 6:09 PM, Li Xue <me.li...@gmail.com> wrote:
> > Hello all,
> >
> > Does someone happen to know how call the pymol commands (for example,
> > align) without opening Pymol GUI window?
> >
> > Thanks.
> >
> > --
> > Xue, Li
> > Bioinformatics and Computational Biology program
> > Computer Science
> > Iowa State University
> > Ames, IA 50010 - USA
> > Tel: 1-515-450-7183
> > Email: me.li...@gmail.com
> >
> >
> ------------------------------------------------------------------------------
> > Start uncovering the many advantages of virtual appliances
> > and start using them to simplify application deployment and
> > accelerate your shift to cloud computing
> > http://p.sf.net/sfu/novell-sfdev2dev
> >
> > _______________________________________________
> > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
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> >
>
>
>
> --
> Jason Vertrees, PhD
> PyMOL Product Manager
> Schrodinger, LLC
>
> (e) jason.vertr...@schrodinger.com
> (o) +1 (603) 374-7120
>
--
Xue, Li
Bioinformatics and Computational Biology program
Computer Science
Iowa State University
Ames, IA 50010 - USA
Tel: 1-515-450-7183
Email: me.li...@gmail.com
------------------------------------------------------------------------------
Start uncovering the many advantages of virtual appliances
and start using them to simplify application deployment and
accelerate your shift to cloud computing
http://p.sf.net/sfu/novell-sfdev2dev
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