• RE: Finding distance between two planes

    Hi Richard,

    That's amazing - thank you.  I'm currently only interested in perfectly parallel planes, so the h.measurements bit is perfect for what I want (and working brilliantly!).  When (if?) I extend to nearly parallel planes I will look at the centroid-plane distances.

    Thanks so much for your help,

    Louise

  • RE: Finding distance between two planes

    Hi Richard,

    Thanks for this.  As Mercury now allows measurement of the distance between two planes I was hoping that it would also be in the API.

    Anyway, I tried your suggestion, and got the error:

    AttributeError: 'SubstructureSearch' object has no attribute 'add_point_plane_distance'

    Any ideas on what I might be doing wrong?

    Thanks,

    Louise

  • Finding distance between two planes

    I'm new to the Python API, so please don't assume any knowledge!

    I'd like to measure a distance between two molecules.  The molecules are roughly planar, so I have defined the planes of each molecule, and I want to find the perpendicular distnace between the planes.  I can find the angle between the planes (which is usually 0, and if it's not 0 I realise that I can't measure the distance anyway).  How can I get the distance?  Below, the code is all working fine, except for the last line.

    Thanks,

    Louise

     

    substructure_search.add_plane('P1',

        sub1, 0,

        sub1, 1,

        sub1, 2,

        sub1, 3,

        sub1, 4,

        sub1, 5,

        sub1, 6,

        sub1, 7,

        sub1, 8)

    substructure_search.add_plane('P2',

        sub2, 0,

        sub2, 1,

        sub2, 2,

        sub2, 3,

        sub2, 4,

        sub2, 5,

        sub2, 6,

        sub2, 7,

        sub2, 8)

    substructure_search.add_plane_angle_measurement('ang3', 'P1', 'P2')

    substructure_search.add_distance_measurement('sep1', 'P1', 'P2')