filename='', exe='poseview', state=-1, quiet=1):

'''

DESCRIPTION

PoseView wrapper

http://www.biosolveit.de/poseview/

USAGE

poseview [ ligand [, protein [, width [, height [, exe [, state ]]]]]]

ARGUMENTS

ligand = string: atom selection {default: organic inorganic}

protein = string: atom selection {default: polymer}

width = int: image width {default: viewport width}

height = int: image height {default: viewport height}

filename = string: output PNG file name {default: temporary}

exe = string: path to executable {default: poseview}

SETUP

1) Put poseview executable to PATH (e.g. /usr/bin/poseview)

2) Set environment variable BIOSOLVE_LICENSE_FILE="/path/to/poseview.lic"

'''

import tempfile

import subprocess

import os

import shutil

width, height = int(width), int(height)

state, quiet = int(state), int(quiet)

if width == 0 or height == 0:

viewport = cmd.get_viewport()

if width != 0:

height = int(viewport[0] / float(width) * viewport[1])

elif height != 0:

width = int(viewport[1] / float(height) * viewport[0])

else:

width, height = viewport

exe = cmd.exp_path(exe)

tempdir = tempfile.mkdtemp()

try:

ligand_filename = os.path.join(tempdir, 'ligand.sdf')

protein_filename = os.path.join(tempdir, 'protein.pdb')

if not filename:

filename = os.path.join(tempdir, 'image.png')

cmd.save(ligand_filename, ligand, state)

cmd.save(protein_filename, protein, state)

args = [exe, '-l', ligand_filename, '-p', protein_filename, '-t', '',

'-o', filename, '-s', str(width), str(height)]

if not quiet:

print(' poseview: running...')

process = subprocess.Popen(args,

universal_newlines=True,

stderr=subprocess.STDOUT, stdout=subprocess.PIPE)

stdout, _ = process.communicate()

if not quiet:

print(stdout)

print(' poseview: done')

if filename.endswith('.png'):

cmd.load(filename)

elif not quiet:

print(' Warning: cannot load "%s" into PyMOL, unsupported file type' % (filename))

except OSError:

print(' Error: Cannot execute "%s", please provide full path to poseview executable' % (exe))

raise CmdException

finally: