mailRe: Representing the Brownian rotational diffusion tensor in Molmol, etc.


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Posted by Edward d'Auvergne on October 27, 2006 - 17:30:
On 10/28/06, Douglas Kojetin <douglas.kojetin@xxxxxxxxx> wrote:
Hi Edward-

I am able to feed commands into PyMOL from Tcl/Tk scripts through the
use of UNIX pipes.  From within the Tcl/Tk script, a pipe is opened
to PyMOL, and the script sends commands to PyMOL.  I can tell PyMOL
to open a PDB file, display it in a certain way (cartoon, ribbon),
highlight certain atoms or residues (by sticks, spheres, etc.), color
them, etc.  I've never tried writing images, but I don't think it
would be too difficult.  Is this the type of functionality you are
looking to incorporate into relax?

This is exactly what is needed. I didn't realise it accepted commands from STDIN, I told you I didn't look very hard! That makes things very easy to implement. Is there documentation for this interface? Are they python commands you send?

Edward



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