[chimera-dev] Save PDB and Map before fitting

[Pablo Solar Rodríguez]

Hello Elaine, 

Thank you for the quick response. I'll check the info to find a way to
do it. Just one more thing. Is there a manner to know when the map has
been moved? Just to not resampling it each time needlessly.

Thank you! 

El 25-04-2017 18:21, Elaine Meng escribió: 

> 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 [1]>
> 
> I hope this helps,
> Elaine
> ----------
> 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.
 

Links:
------
[1]
http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#afterfitting
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