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#!/usr/bin/python
"""This script translates an MMP file to an XYZ file.
Usage:
mmp2xyz.py input.mmp > output.xyz
$Id$
"""
__author__ = "Will"
import sys
from MmpFile import MmpFile
from XyzFile import XyzFile
import Atom
try:
mmpInputFile = sys.argv[1]
xyz = XyzFile()
mmp = MmpFile()
mmp.read(mmpInputFile)
for i in range(len(mmp)):
ma = mmp.atoms[i]
element = Atom._PeriodicTable[ma.elem]
x, y, z = ma.x, ma.y, ma.z
a = Atom.Atom()
a.fromXyz(element, x, y, z)
xyz.atoms.append(a)
xyz.write(mmpInputFile)
except Exception, e:
if e:
sys.stderr.write(sys.argv[0] + ": " + e.args[0] + "\n")
import traceback
traceback.print_tb(sys.exc_traceback, sys.stderr)
sys.stderr.write("\n")
sys.stderr.write(__doc__)
sys.exit(1)
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