Re: [PyMOL] Details of the morph interpolation?

2016-05-31 Thread Thomas Holder
Hi Emily, PyMOL's morphing performs two steps: (1) RigiMOL, and (2) refinement of non-backbone atoms by sculpting. The second part can be skipped with "refinement=0". Unfortunately, there is no RigiMOL publication or method documentation. The sculpting refinement tries to avoid clashes and mai

Re: [PyMOL] Numpy in incentive pymol

2016-05-31 Thread Thomas Holder
Hi Filip, Incentive PyMOL includes numpy and scipy. However, the 1.8.0.0 release on Windows was missing some dlls, that's why "import numpy" fails. The 1.8.0.7 update fixes that. Cheers, Thomas On 30 May 2016, at 06:44, Filip Leonarski wrote: > Hi, > >I have a question - is it possibl

[PyMOL] Map issue

2016-05-31 Thread Filip Leonarski
Hi, I'm trying to access electron density maps from PyMol. Everything is fine, when the map is orthorombic. I take map extremities with get_extend and compare them with shape of array accessed via get_volume_field . However when map is non-orthorombic I need to shuffle between fractional/real