Re: [PyMOL] Raw map access

[Thomas H. <tho...@sc...>]

Hi Filip,

there is no function to query map values with 3D coordinates. There is, however, a cmd.get_volume_field() function that returns the raw map data on the grid (works with maps and volumes, PyMOL 1.7.4). With cmd.get_extend() you could put together a mapping from 3D coordinate to grid cell.

See also:
https://sourceforge.net/p/pymol/mailman/message/33229404/

Hope that helps.

Cheers,
  Thomas

On 24 Apr 2015, at 10:03, Filip Leonarski <fle...@gm...> wrote:

> Dear All,
> 
>      I'm trying to develop a plugin to Pymol. Do you know about an option to get value of a map (e.g. electron density) at a particular coordinates? I would like to know sigma value for a particular atom. Is there any way, using python, to achieve that?
> 
> Best regards,
> Filip

-- 
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.