[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 15 rue René D

[PyMOL] Details of the morph interpolation?

2016-05-30 Thread Emilia C. Arturo (Emily)
Hello. I would like to know more about the type of interpolation that is done when morph is called, and what calculations are done at each refinement cycle. Is there a reference or previous forum discussion to which you can point me? I am using MacPyMOL version 1.7.6.2. Regards, Emily. -- "St

[PyMOL] Details of the morph interpolation?

2016-05-30 Thread Emilia C. Arturo (Emily)
Hello. I would like to know more about the type of interpolation that is done when morph is called, and what calculations are done at each refinement cycle. Is there a literature reference or previous forum discussion to which you can point me? >From my sifting through the internet, I settled on

[PyMOL] migrating Fe ions and the use of 'morph'

2016-05-30 Thread Emilia C. Arturo (Emily)
Hello all. I'm struggling to comprehend why the morph function, as called using MacPyMOL version 1.7.6.2, is making iron ions either migrate out of the active site during the interpolation, or completely absent from the interpolation. I call the morph function like so: morph morphresult, pdb1, p