Re: [PyMOL] Raw map access

2015-04-28 Thread Thomas Holder
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 ce

[PyMOL] Raw map access

2015-04-25 Thread Filip Leonarski
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 -