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,
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?
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.
substructure_search.add_plane_angle_measurement('ang3', 'P1', 'P2')
substructure_search.add_distance_measurement('sep1', 'P1', 'P2')