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 <fleonar...@gmail.com> 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. ------------------------------------------------------------------------------ One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
