[PyMOL] definition of isomesh level parameter

2018-03-08 Thread wtempel
Hello all, even though I have some intuition about what the "level" parameter of the "isomesh" command may mean, I would like to know what unit I should use when I describe the contour level in figure caption, for example. Thank you. Wolfram -

Re: [PyMOL] Poll: new protein/nucleic selection keywords

2017-12-18 Thread wtempel
Speaking of atom selection, I wonder how many pymol and phenix users would benefit from a fully "standardized" selection syntax. Would this be a worthwhile design goal? Wolfram Tempel On Mon, Dec 18, 2017 at 1:41 PM, Thomas Holder < thomas.hol...@schrodinger.com> wrote: > We'd like to know your t

Re: [PyMOL] loading PQR-format coordinates

2017-12-07 Thread wtempel
bout as many problems as it solves. The correct solution > would be to retire the PQR format and replace it with mmCIF, which is not a > fixed column format. > > Cheers, > Thomas > > > On Dec 7, 2017, at 1:14 AM, wtempel wrote: > > > > Hello, > > loading a

[PyMOL] loading PQR-format coordinates

2017-12-06 Thread wtempel
Hello, loading a pqr (PDB2PQR version 2.1.1) file into pymol 1.7 … 1.9 garbles the model in some systematic way, whereas PDB2PQR version 1.8 output appears to be displayed correctly. After superficial inspection I concluded that in 2.1.1 output, columns from (and including) the atom number appear t

[PyMOL] slab settings

2015-09-17 Thread wtempel
Hello, how can I “get” the the current slab settings, that is settings that are adjusted with the clip command: current center of slab (relative to center of rotation?), depth of slab? Thank you, Wolfram Tempel ​ -- Monitor

[PyMOL] map symmetry expansion on 1.7.2.1

2014-11-20 Thread wtempel
Hello, PHENIX has calculated a *_refine_001_mFo-DFc.ccp4 map for me, which I “meshed” with isomesh mesh, map, 3. I understand map_auto_expand_sym is enabled by default. Yet when I translate using the middle mouse button, I can easily go beyond the extent of the mesh. How can I make the mesh fellow