def load_mtz(filename,
prefix='',
maptypes='FoFc 2FoFc',
multistate=0,
quiet=1):
'''
DESCRIPTION
Load a MTZ file as two map objects (FoFc, 2FoFc)
This only works with the incentive PyMOL product!
USAGE
load_mtz filename [, prefix [, maptypes ]]
'''
from pymol import headering
multistate, quiet = int(multistate), int(quiet)
header = headering.MTZHeader(filename)
for coltype in ('F', 'P'):
if not header.getColumnsOfType(coltype):
print(' Error: could not find %s type column' % coltype)
raise CmdException
if not prefix:
prefix = os.path.basename(filename).rsplit('.', 1)[0]
for maptype in maptypes.split():
F, P, prg = header.guessCols(maptype)
if None in (F, P):
print(' Warning: No %s map' % (maptype))
continue
name = prefix + '.' + maptype
if not multistate:
cmd.delete(name)
cmd.map_generate(name, filename, F, P, 'None', 0, 0, quiet)
if name not in cmd.get_names('objects'):
print(' Error: Loading %s map failed.' % (maptype))
print(
' This PyMOL version might not be capable of loading MTZ files'
)
raise CmdException
def load_mtz(filename, prefix='', maptypes='FoFc 2FoFc', multistate=0, quiet=1):
'''
DESCRIPTION
Load a MTZ file as two map objects (FoFc, 2FoFc)
This only works with the incentive PyMOL product!
USAGE
load_mtz filename [, prefix [, maptypes ]]
'''
from pymol import headering
multistate, quiet = int(multistate), int(quiet)
header = headering.MTZHeader(filename)
for coltype in ('F', 'P'):
if not header.getColumnsOfType(coltype):
print ' Error: could not find %s type column' % coltype
raise CmdException
if not prefix:
prefix = os.path.basename(filename).rsplit('.', 1)[0]
for maptype in maptypes.split():
F, P, prg = header.guessCols(maptype)
if None in (F, P):
print ' Warning: No %s map' % (maptype)
continue
name = prefix + '.' + maptype
if not multistate:
cmd.delete(name)
cmd.map_generate(name, filename, F, P, 'None', 0, 0, quiet)
if name not in cmd.get_names('objects'):
print ' Error: Loading %s map failed.' % (maptype)
print ' This PyMOL version might not be capable of loading MTZ files'
raise CmdException
def load_mtz(filename, prefix="", maptypes="FoFc 2FoFc", multistate=0, quiet=1):
"""
DESCRIPTION
Load a MTZ file as two map objects (FoFc, 2FoFc)
This only works with the incentive PyMOL product!
USAGE
load_mtz filename [, prefix [, maptypes ]]
"""
from pymol import headering
multistate, quiet = int(multistate), int(quiet)
header = headering.MTZHeader(filename)
for coltype in ("F", "P"):
if not header.getColumnsOfType(coltype):
print " Error: could not find %s type column" % coltype
raise CmdException
if not prefix:
prefix = os.path.basename(filename).rsplit(".", 1)[0]
for maptype in maptypes.split():
F, P, prg = header.guessCols(maptype)
if None in (F, P):
print " Warning: No %s map" % (maptype)
continue
name = prefix + "." + maptype
if not multistate:
cmd.delete(name)
cmd.map_generate(name, filename, F, P, "None", 0, 0, quiet)
if name not in cmd.get_names("objects"):
print " Error: Loading %s map failed." % (maptype)
print " This PyMOL version might not be capable of loading MTZ files"
raise CmdException