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 could make it into a server where we submit our pdb.

http://sbcb.bioch.ox.ac.uk/memprotmd/beta/

Stansfeld, P. J., et al. (2015). "MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes." Structure.


vincent


On 03/02/2016 19:33, H. Adam Steinberg wrote:
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 <tsje...@gmail.com <mailto:tsje...@gmail.com>> wrote:

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 downloads and installs to get the proper programs in place, before it becomes as simple as running a single command specifying the protein and membrane.

If you and your students would like to try it out, I can give some pointers and provide my scripts to get it done. The wiki will have to wait a bit, but it will come.

Cheers,

Tsjerk

On Feb 2, 2016 5:33 PM, "H. Adam Steinberg" <h.adam.steinb...@gmail.com <mailto:h.adam.steinb...@gmail.com>> wrote:

    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 <tsje...@gmail.com
    <mailto:tsje...@gmail.com>> wrote:

    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
    <jul...@joules.de <mailto:jul...@joules.de>> wrote:

        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
        <honeg...@bioc.uzh.ch <mailto:honeg...@bioc.uzh.ch>> wrote:

            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 = 1, 1, 0 # color (yellow)
            radius = 100
            cmd.load_cgo( [ 9.0, x1, y1, z1, x2, y2, z2, radius, r1,
            g1, b1, r2, g2, b2 ], "membrane" )

            When I try to move this cylinder into the correct
            position with cmd.transform_selection,
            using the transformation parameters extracted from
            get_view (reordering them as needed)
            I get the error message "Selector-Error: Invalid
            selection name “membrane” “

            The same transform command works fine if I apply it to a
            pseudo atom originally generated with coordinates 0,0,0.

            Any suggestion how else I could indicate the membrane,
            or how I could place my ego object parallel
            to the screen yz plane? I have to be able to do this in
            a reproducible fashion, as I have to  do this
            for a large number of constructs that bend my receptors
            relative to the membrane in various ways.

            Thanks for your help
            Annemarie
            _______________________________

            Dr. Annemarie Honegger PhD
            Department
            of Biochemistry
            Zürich University
            Winterthurerstrasse 190
            CH-8057 Zürich
            Switzerland


            
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-- Tsjerk A. Wassenaar, Ph.D.

    
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    H. Adam Steinberg
    7904 Bowman Rd
    Lodi, WI 53555
    608/592-2366 <tel:608%2F592-2366>


H. Adam Steinberg
7904 Bowman Rd
Lodi, WI 53555
608/592-2366



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--

Vincent Chaptal, PhD

Institut de Biologie et Chimie des Protéines

Drug Resistance and Membrane Proteins Laboratory

7 passage du Vercors

69007 LYON

FRANCE

+33 4 37 65 29 01

http://www.ibcp.fr


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