Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-07 Thread H. Adam Steinberg
WOW! what a great resource! I downloaded an example and played with it in PyMOL. They removed the Chains, making selections a little harder, but still a great resource! > On Feb 4, 2016, at 5:26 AM, vincent Chaptal wrote: > > Hi all, > > about proteins inserted into membranes, the group of M

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-04 Thread vincent Chaptal
Hi all, about proteins inserted into membranes, the group of Mark Sansom just published a paper where they describe insertion of the whole membrane-proteins PDB into a bilayer followed by coarse-grain MD and all atom MD, and make the results available to everyone. It would be great if they co

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-03 Thread H. Adam Steinberg
Thank you Tsjerk. What we do right now is just open VMD and use the membrane builder, then take that file back into PyMOL! > On Feb 3, 2016, at 12:29 PM, Tsjerk Wassenaar wrote: > > Hi Adam, > > Well, for putting it on the Pymol wiki, I'll at least have to wait and see > how far my students g

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-03 Thread Tsjerk Wassenaar
Hi Adam, Well, for putting it on the Pymol wiki, I'll at least have to wait and see how far my students got with integrating the routine in a webservice. If they already managed, it will be as easy as submitting the structure and saying what membrane you want. Otherwise, it will require some downl

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-03 Thread Honegger Annemarie
Thanks Jared, this worked. Since I only have the extracellular domains of the receptors, i used the center-of-mass of all extracellular domains as one point, and the centre-of-mass of the alpha atoms closest to the membrane for all receptor moleculees as a second point, then shifted copies of

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-03 Thread Julian Heinrich
Hi all, translate does seem to work with CGOs if you use named arguments (note the 'object=' in the argument list): cmd.translate([x,y,z], object='membrane') Here's an example that you can copy and paste into pymol: --- python from pymol.cgo import * from pymol import cmd from pymol.vf

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-02 Thread Sampson, Jared M.
Hi Annemarie - Fun problem. It looks like cmd.transform_selection() only works with "molecule" type objects, not with CGOs. You could try doing something like what's in the 3rd example in http://www.pymolwiki.org/index.php/Axes, calculating the new object matrix itself by transforming the curr

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-02 Thread H. Adam Steinberg
Tsjerk, Can you add an example of generating a “real” membrane around a protein to the gallery of the PyMOLwiki? My students would love to have easy access to that! Thanks! Adam > On Feb 2, 2016, at 1:39 AM, Tsjerk Wassenaar wrote: > > Hi Annemarie, > > It's actually quite simple to genera

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-01 Thread Tsjerk Wassenaar
Hi Annemarie, It's actually quite simple to generate a real membrane around your protein and, e.g., to show the head groups. Do you have a PDB ID for the protein, or are they in-house models? Cheers, Tsjerk On Mon, Feb 1, 2016 at 10:57 PM, Julian Heinrich wrote: > Hi Annemarie, > > Have you t

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-02-01 Thread Julian Heinrich
Hi Annemarie, Have you tried the following? cmd.translate([x,y,z], object='membrane') replace x,y,z with your translation vector. Cheers, Julian On Sat, Jan 30, 2016 at 8:33 AM, Honegger Annemarie wrote: > I am trying to show some cell surface receptors and to indicate their > position relati

Re: [PyMOL] PyMOL-users Digest, Vol 116, Issue 15

2016-01-29 Thread Honegger Annemarie
I am trying to show some cell surface receptors and to indicate their position relative to the membrane. I thought to indicate the plane of the membrane by a flat disk, a ago cylinder. x1,y1,z1 = 0, -1, 0 # start point r1,g1,b1 = 1, 1, 0 # color (yellow) x2,y2,z2 = 0, -2, 0 # end point r2,g2,b2