[chimera-dev] (Smart) Copy Molecule to ModelPanel after fitting in plugin

[Tom Goddard]

Hi Pablo,

  Here is some example Python code for how to copy a molecule and change its atom coordinates.  I've added this script to the Chimera Python scripts web page:

	http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts <http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts>

  Tom



> On Apr 7, 2017, at 1:09 AM, Pablo Solar Rodríguez <pablo.solar at delogica.com> wrote:
> 
>  
> Hi all!
> 
> Hope everything is ok! :) I would like to know if there is any smart way to copy/duplicate a Molecule directly to the Model Panel.
> 
> The plugin I am developing for an exahustive fitting generates N solutions on the same opened Molecule. In this situation, when the process has finished, the user can choose a solution and the Molecule rotates and translates to the associated position. That is, N different positions for each solutions. What I want is to let the user be able to "save" the solution it wants and show it in the Model Panel.
> 
> An example:
> 
> I've got a chainH.pdb and a ccp4 map. After my exhaustive fitting process, 10 solutions are generated, so chainH can be moved into 10 different positions. Next step is that if user choses the solution number 7, chainH will move and rotate to that 7 solution and the user can save this into the Model Panel with solution7_chainH.pdb name.
> 
> Is there a simple way to do this? I've checked the Copy/Combine source code (http://plato.cgl.ucsf.edu/trac/chimera/browser/trunk/libs/Combine <http://plato.cgl.ucsf.edu/trac/chimera/browser/trunk/libs/Combine>) but I want to know if there is a better way and not to "replicate" this code.
> 
> Thank you all in advance!
>  
> <e3596d50.png>   Pablo Solar Rodríguez
>    pablo.solar at delogica.com
>    Delógica - www.delogica.com <http://www.delogica.com/>
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