schrodinger.application.phase.phase

Module phase_markers

Classes

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PhaseFeatureMarker
Class defining a single Phase marker.

PhaseFeatureMixin
A mixin for adding pharmacophore feature markers and controlling their visibility.

Functions

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tuple

get_site_coords(site)
This function returns site coordinates.

tuple

_calculate_arrow_tail(x, y, z, px, py, pz, rad, rcyl)
Calculate coordinates of the projected point arrow tail position.

Variables

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maestro = schrodinger.get_maestro()

LABEL_FONT_NAME = maestro.get_font_names() [0]

__package__ = 'schrodinger.application.phase'

Function Details

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get_site_coords(site)

This function returns site coordinates.

Returns: tuple: site xyz coordinates

_calculate_arrow_tail(x, y, z, px, py, pz, rad, rcyl)

Calculate coordinates of the projected point arrow tail position. Tail position is calculated in such a way that arrow cylinder 'grows' from the surface of the pharmacophore sphere.

Parameters:

x (float) - x-coordinate of the pharmacophore site
y (float) - y-coordinate of the pharmacophore site
z (float) - z-coordinate of the pharmacophore site
px (float) - x-coordinate of the projected point (arrow end point)
py (float) - y-coordinate of the projected point (arrow end point)
pz (float) - z-coordinate of the projected point (arrow end point)
rad (float) - pharmacophore feature sphere radii
rcyl (float) - radii of the arrow cylinder

Returns: tuple

tuple that contains xyz coordinates of the arrow tail point