|
|
| (22 intermediate revisions by 5 users not shown) |
| Line 1: |
Line 1: |
| <source lang="python">
| | {{Infobox script-repo |
| #
| | |type = script |
| # $Id$
| | |filename = scripts/perp_maker.py |
| #
| | |author = [[User:Inchoate|Jason Vertrees]] |
| | |license = MIT |
| | }} |
|
| |
|
| #
| | The '''perp_maker.py''' script creates perpendicular planes. |
| # perp_maker.py: Nothing to do with cops. Given a simple PyMol scene, attempts to
| |
| # create a CGO background triangle perpendicular to the vector created - which is
| |
| # parallel to the line segment drawn through the camera point and current center of
| |
| # mass - as obtained by "get_position," or "get_view."
| |
| #
| |
|
| |
|
| #
| | Nothing to do with cops. Given a simple PyMol scene, attempts to create a CGO background triangle perpendicular to the vector created - which is parallel to the line segment drawn through the camera point and current center of mass - as obtained by "get_position," or "get_view." |
| # To use: Load your scene. Orient the scene as you wish. Run the script.
| |
| # Could it be any simpler?!
| |
| #
| |
|
| |
|
| # The TTT Matrix has to be the identity, do achieve this result. So,
| | == Usage == |
| # run the following:
| |
| # -- 'reset'
| |
| # -- then orient your molecule as desired using the EDITING features!
| |
| # -- before running this script, make sure 'get_view' shows the identity
| |
| # -- matrix for the first 9 elements.
| |
| # -- then run the script
| |
| #
| |
|
| |
|
| | * Load your scene |
| | * Orient the scene as you wish |
| | * [[Running Scripts|Run]] the script |
|
| |
|
| import pymol
| | Could it be any simpler? |
| import math
| |
| import sys
| |
| import random
| |
| from pymol.cgo import *
| |
| from pymol.vfont import plain
| |
|
| |
|
| ############################################################
| | You can rotate and move the plane using the editing features (A > drag, Shift+Drag with right, middle or left mouse button). |
| #
| |
| # Methods
| |
| #
| |
| ############################################################
| |
|
| |
|
| #
| | [[Category:Script_Library]] |
| # Given the viewVector and center, creates a random sized plane
| | [[Category:Math_Scripts]] |
| # perpendicular to the viewVector through the origin. It is then
| | [[Category:Pymol-script-repo]] |
| # the next step's responsibility to move the plane back some so
| |
| # it dosen't cut the molecule/scene in half.
| |
| #
| |
| def getPPlane( viewVector, center, side_length=100 ):
| |
| """Returns a 3-tuple of 3D points representing the perp. plane."""
| |
| | |
| # for reproduceable testing
| |
| #random.seed(10)
| |
| #
| |
| # The formula for a plane with our chacteristics is defined by
| |
| #
| |
| # A(x - x') + B(y - y') + C(y - y') + D = 0, where
| |
| # A, B and C are not all zero coefficients in the vector
| |
| # Ai + Bj + Ck such that the plane is perpendicular to this
| |
| # vector; x, y, and z are points on the plane; x', y', and z'
| |
| # are the coordiates through which the plane shall run.
| |
| #
| |
| | |
| # This is fool-ass. Gotta' be a better way to do this.
| |
| # Declaring that rVal is a 3-Tuple.
| |
| rVal = [ [], [], [], [], [], [] ]
| |
| | |
| # Compose two triangles into a square.
| |
| # Never learned any GFX coding, so I'm sure there's something
| |
| # better than this; but, this works.
| |
| for i in range(0, 6):
| |
| if ( i == 0 ) or ( i == 5 ):
| |
| x = -side_length + center[0]
| |
| y = -side_length + center[1]
| |
| elif (i == 1):
| |
| x = -side_length + center[0]
| |
| y = side_length + center[1]
| |
| elif ( i == 2 ) or ( i == 3 ):
| |
| x = side_length + center[0]
| |
| y = side_length + center[1]
| |
| elif ( i == 4):
| |
| x = side_length + center[0]
| |
| y = -side_length + center[1]
| |
| | |
| if ( viewVector[2] != 0 ):
| |
| z = -(((viewVector[0]*(x - center[0])) - (viewVector[1]*(y - center[1]))) /
| |
| viewVector[2]) + center[2]
| |
| | |
| else:
| |
| print "Z-component of viewVector is zero. Now, I need a nonzero value here
| |
| so I'm just making one up. :)"
| |
| z = random.randint(-200, 200)
| |
| | |
| rVal[i] = [x, y, z]
| |
| | |
| return rVal
| |
| | |
| ############################################################
| |
| #
| |
| # End methods
| |
| #
| |
| ############################################################
| |
| #
| |
| # First, get the center and camera locations
| |
| #
| |
| view = cmd.get_view()
| |
| camera = [ view[9], view[10], view[11] ]
| |
| center = [ view[12], view[13], view[14] ]
| |
| | |
| #
| |
| # Sanity check
| |
| | |
| #
| |
| print "Camera is: " + str(camera)
| |
| print "Center is: " + str(center)
| |
| | |
| | |
| #
| |
| # Create the vector through the two points directed
| |
| # from the camera to the center - the viewVector
| |
| #
| |
| viewVector = [ center[0] - camera[0],
| |
| center[1] - camera[1],
| |
| center[2] - camera[2] ]
| |
| | |
| print "ViewVector is: " + str(viewVector)
| |
| | |
| #
| |
| # Create the plane perpendicular to the viewVector
| |
| # running through the origin
| |
| #
| |
| | |
| | |
| pPlane = getPPlane( viewVector, center, side_length=100 )
| |
| print "Plane points calculated as: " + str(pPlane)
| |
| | |
| #
| |
| # Now translate the plane down away from the camera along the viewVector axis
| |
| #
| |
| | |
| | |
| # now create the CGO and load from the points
| |
| obj = [
| |
| BEGIN, TRIANGLES,
| |
| COLOR, 0.2, 0.4, 1,
| |
| | |
| VERTEX, pPlane[0][0], pPlane[0][1], pPlane[0][2],
| |
| VERTEX, pPlane[1][0], pPlane[1][1], pPlane[1][2],
| |
| VERTEX, pPlane[2][0], pPlane[2][1], pPlane[2][2],
| |
| | |
| VERTEX, pPlane[3][0], pPlane[3][1], pPlane[3][2],
| |
| VERTEX, pPlane[4][0], pPlane[4][1], pPlane[4][2],
| |
| VERTEX, pPlane[5][0], pPlane[5][1], pPlane[5][2],
| |
| | |
| END
| |
| ]
| |
| | |
| | |
| cmd.load_cgo( obj, 'pPlane')
| |
| cmd.set_view( view )
| |
| </source>
| |
The perp_maker.py script creates perpendicular planes.
Nothing to do with cops. Given a simple PyMol scene, attempts to create a CGO background triangle perpendicular to the vector created - which is parallel to the line segment drawn through the camera point and current center of mass - as obtained by "get_position," or "get_view."
Usage
- Load your scene
- Orient the scene as you wish
- Run the script
Could it be any simpler?
You can rotate and move the plane using the editing features (A > drag, Shift+Drag with right, middle or left mouse button).