Difference between revisions of "Transform odb.py"

Latest revision as of 01:44, 28 March 2014

Redirect to:

Transform odb

@@ Line 1: / Line 1: @@
-from pymol import cmd
+#REDIRECT [[Transform_odb]]
-import pymol
-import os
-import re
-import string
-def __init__(self):
-	cmd.extend('transform_odb', transform_odb)
-# Creates a new object name from selection after transforming it with O-style matrix
-# found in matrix_file
-# Author: Mark Saper <saper@umich.edu>
-def transform_odb( name, selection, matrix_file='matrix.odb',  transpose=0):
-	# open the file for reading
-	matrix_file = os.path.expanduser(matrix_file)
-	matrix_file = os.path.expandvars(matrix_file)
-	theInFile = open ( matrix_file,"r")
-	# what we'll store the results in
-	theMatrix = []
-	# read every line in the file and ...
-	for theCurrLine in theInFile.readlines():
-	#print theCurrLine[0]
-	   if (theCurrLine) and (theCurrLine[0] != '!') and (theCurrLine[0] != '.'):
-		  # if the line isn't blank, make a list of items seperated by tabs
-		  theNewRow = string.split (theCurrLine)
-		  # add it in the matrix
-		  theMatrix.extend ( theNewRow )
-	 # change matrix to pymol unsupported format
-	theMatrix = [ theMatrix[0], theMatrix[3], theMatrix[6], theMatrix[9],
-					  theMatrix[1], theMatrix[4], theMatrix[7], theMatrix[10],
-					  theMatrix [2], theMatrix [5], theMatrix[8], theMatrix[11],
-.0, 0.0, 0.0, 0.0 ]
-	theMatrix = [ float(x) for x in theMatrix]
-	# close the file
-	theInFile.close ()
-	#
-	r = cmd.create ( name, selection)
-	r = cmd.transform_object( name, theMatrix, transpose=transpose)
-	return r
-cmd.extend('transform_odb', transform_odb)

Difference between revisions of "Transform odb.py"

Latest revision as of 01:44, 28 March 2014

Navigation menu

Search