Re: [PyMOL] C-aplha c-alpha distances

2013-09-11 Thread Thomas Holder
Hi Ananya, if you really want CA-CA distances of *each residue*, it will be a few lines of scripting: xyz_initial = cmd.get_model('initial & guide').get_coord_list() xyz_final = cmd.get_model('final_copy & guide').get_coord_list() from chempy import cpv for xyz_pair in zip(xyz_initial, xyz_final

Re: [PyMOL] interpolate vs. reinterpolate

2013-09-11 Thread Thomas Holder
Hi Jordan, if the movie has not been interpolated yet, they are interchangeable. But if you change camera positions in an already interpolated movie, "interpolate" will do nothing, but "reinterpolate" will. Example: unset movie_auto_interpolate unset movie_auto_store fragment ala set_view ( 1.

Re: [PyMOL] Object motions and Camera Motions not in sync

2013-09-11 Thread Thomas Holder
Hi Jordan, impressive Movie :) I don't exactly know what the problem is, it's a lot of code. But a few thoughts: "rotate" and "translate" have a "camera" argument and can either work in model space, or in camera space. Default is camera=1. So if you want those to operate independant of camera vie

Re: [PyMOL] How to make a movie for YouTube 3D channel from pymol

2013-09-11 Thread Christoph Parthier
Dear Bernhard, I'm certainly not one of the Pymol 3D experts, but I've done a a few 3D movies in Pymol for presentations with a 3D projector. It's not much different from creating non-3D videos, only difference is the movies contains the two images side-by-side. Youtube assumes 'Cross-Eye Stere

Re: [PyMOL] new "metals" keyword

2013-09-11 Thread Thomas Holder
Hi Spencer, thanks for the feedback. Do you know the "organic" keyword? This should usually match what you consider the ligand. It will not distinguish between covalently bound and not covalently bound, though. select ligand, organic & !(bymol polymer) select ptm, organic & (bymol polymer) Chee

[PyMOL] How to make a movie for YouTube 3D channel from pymol

2013-09-11 Thread Bernhard Rupp
Dear Pymol Experts, As an activity for the International Year of Crystallography 2014 , a colleague of mine would like to produce a 3D movie that can be uploaded to the YouTube 3D channel from pymol and/or povray. We would like to know if this is (a routine action / possible / or a development t