DrawBoundingBox
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OVERVIEW
Draws the minumum bounding box around your selection.
Example min BB
Example
run ~/drawMinBoundingBox.py
fetch 1jsd
drawMinBoundingBox 1jsd, 3, r=0.33, g=0.80
Installation
Just copy the source to your computer. Then run
run /path/to/drawMinBoundingBox.py
Usage
drawMinBoundingBox [selection, [lineWidth, [redColor, [greenColor, [blueColor]]]]]
The Code
Download drawMinBoundingBox.tar.bz2
# -*- coding: utf-8 -*-
from pymol.cgo import *
from pymol import cmd
from random import randint
from string import split
#############################################################################
#
# drawMinBoundingBox.py -- Draws the smallest box surrounding a selection
#
# AUTHOR: Jason Vertrees
# DATE : 2/20/2009
# NOTES : See comments below.
#
#############################################################################
def drawMinBoundingBox(sel="(all)", lineWidth=2.0, r=1.0, g=1.0, b=1.0):
"""
DESCRIPTION
Given sel, draw the minimum bounding box around it.
USAGE:
drawMinBoundingBox [sel, [lineWidth, [r, [g, b]]]]
PARAMETERS:
sel, the selection to enboxen. :-)
defaults to (all)
lineWidth, width of box lines
defaults to 2.0
r, red color component, valid range is [0.0, 1.0]
defaults to 1.0
g, green color component, valid range is [0.0, 1.0]
defaults to 1.0
b, blue color component, valid range is [0.0, 1.0]
defaults to 1.0
RETURNS
string, the name of the CGO box
NOTES
* This function creates a randomly named CGO box that minimally spans the protein. The
user can specify the width of the lines and also the color.
* Maybe add a padding function? This might help docking folks -- eg. add a 5 Ang border around
the protein then draw the box there?
"""
([minX, minY, minZ],[maxX, maxY, maxZ]) = cmd.get_extent(sel)
minBB = [
LINEWIDTH, float(lineWidth),
BEGIN, LINES,
COLOR, float(r), float(g), float(b),
VERTEX, minX, minY, minZ, #1
VERTEX, minX, minY, maxZ, #2
VERTEX, minX, maxY, minZ, #3
VERTEX, minX, maxY, maxZ, #4
VERTEX, maxX, minY, minZ, #5
VERTEX, maxX, minY, maxZ, #6
VERTEX, maxX, maxY, minZ, #7
VERTEX, maxX, maxY, maxZ, #8
VERTEX, minX, minY, minZ, #1
VERTEX, maxX, minY, minZ, #5
VERTEX, minX, maxY, minZ, #3
VERTEX, maxX, maxY, minZ, #7
VERTEX, minX, maxY, maxZ, #4
VERTEX, maxX, maxY, maxZ, #8
VERTEX, minX, minY, maxZ, #2
VERTEX, maxX, minY, maxZ, #6
VERTEX, minX, minY, minZ, #1
VERTEX, minX, maxY, minZ, #3
VERTEX, maxX, minY, minZ, #5
VERTEX, maxX, maxY, minZ, #7
VERTEX, minX, minY, maxZ, #2
VERTEX, minX, maxY, maxZ, #4
VERTEX, maxX, minY, maxZ, #6
VERTEX, maxX, maxY, maxZ, #8
END
]
curName = "minBB_" + str(randint(0,10000))
while curName in cmd.get_names():
curName = "minBB_" + str(randint(0,10000))
cmd.load_cgo(minBB,curName)
return curName