[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

[PyMOL] Numpy in incentive pymol

2016-05-30 Thread Filip Leonarski
Hi, I have a question - is it possible to have numpy and scipy available in pymol 1.8 incentive version. I have some plugins that worked perfectly well with pymol 1.7, however after upgrade to 1.8 they fail on "import numpy" step. Thanks, Filip -- Filip Leonarski, PhD IBMC/CNRS 1

[PyMOL] Map issue

2016-05-31 Thread Filip Leonarski
coordinates. And here is the problem: I have a map calculated exactly for the unit cell. However map_extend provides values around 1% smaller. Why can it be? Thanks, Filip -- Filip Leonarski, PhD IBMC/CNRS 15 rue René Descartes 67084 Strasbourg Cedex

[PyMOL] Problem with isomesh without map

2016-04-02 Thread Filip Leonarski
was of a decent size. Currently PyMol crashes when trying to do that. Is it possible to fix this one? Best, Filip -- Filip Leonarski, PhD IBMC/CNRS 15 rue René Descartes 67084 Strasbourg Cedex -- Transform Data into Opportunity

[PyMOL] PyMol & PDBe

2017-01-24 Thread Filip Leonarski
Hi, I'm writing in regards of downloading electron density maps in Pymol. As you know EDS is soon to be decomissioned and PDBe (PDB in Europe) is a new source of electron density maps for crystal structures. Is it possible with next update of Pymol to change "fetch , type=2fofc" command to