[chimera-dev] Save PDB and Map before fitting

[Elaine Meng]

Hi Pablo,
The map format doesn’t include rotation information.  You would have to resample it on a new grid to create a new map, such as with command “vop resample”… details here on saving maps after fitting (bottom of the page):

<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#afterfitting>

I hope this helps,
Elaine
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Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Apr 25, 2017, at 2:24 AM, Pablo Solar Rodríguez <pablo.solar at delogica.com> wrote:
>  
> Hello Tom,
> Thank you for your quick response. I've checked the code in my plugin and the PDB saving works fine as I expected, even if I move the molecule.
> 
> My question is about saving the map. I tried to move it (rotate&translate unchecking the 'A' in the ModelPanel) and then save it with this code, but when I open the saved map, it is similar to the original one and does not keep the new coordinates. This could be a problem in my plugin, because I need to save them case of moving to get correct results in the fitting process.
> 
> So, how can I handle this situation? Is there any other way for saving the new map coordinates in the same way the PDB saving does? Hope I have explained myself correctly.
> Thank you in advance and kind regards,
> Pablo.