Re: [PyMOL] Thermal ellipsoid plot

2019-06-26 Thread koji naka
Mr. Thomas Holder, Many thanks for your help. I can manage it. Best regards, Koji 2019年6月26日(水) 18:56 Thomas Holder : > Hi Koji, > > Yes it is my understanding that sphere_scale 1.1932 would correspond to > 30% probability. > > Cheers, > Thomas > > > On Jun 25, 2019, at 12:26 PM, koji naka

Re: [PyMOL] Thermal ellipsoid plot

2019-06-26 Thread Thomas Holder
Hi Koji, Yes it is my understanding that sphere_scale 1.1932 would correspond to 30% probability. Cheers, Thomas > On Jun 25, 2019, at 12:26 PM, koji naka wrote: > > Dear Mr. Thomas Holder, > > Thank you very much for your kind reply. > I am very happy to know the scale factor for the 50%

Re: [PyMOL] Thermal ellipsoid plot

2019-06-25 Thread koji naka
Dear Mr. Thomas Holder, Thank you very much for your kind reply. I am very happy to know the scale factor for the 50% probability, but I don't understand well. >From the table, can I take a value the scale? For example, in case of 30% probability, is it ok to set " set sphere_scale, 1.1932"? or

Re: [PyMOL] Thermal ellipsoid plot

2019-06-25 Thread Thomas Holder
Hi Koji, Interesting question, I wasn't aware of the ellipsoid_probability setting. The probability to radius conversion is done with a lookup table, see: https://github.com/schrodinger/pymol-open-source/blob/d1359f125d/layer2/RepEllipsoid.cpp#L114 To get sphere scaling equivalent of

[PyMOL] Thermal ellipsoid plot

2019-06-23 Thread koji naka
Dear all, The size of isotropic atoms plotted by using "alter all, vdw = sqrt(b/8)/pi" and "show sphere" looks small compared with the size of anisotropic atoms displayed by "show ellipsoid" in PyMOL default setting with 50% probability. How can I plot the isotropic atoms with 50% probability?