"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "modules/pymol/fitting.py" between
pymol-v1.8.6.0.tar.bz2 and pymol-v2.1.0.tar.bz2

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

fitting.py  (pymol-v1.8.6.0.tar.bz2)	:	fitting.py  (pymol-v2.1.0.tar.bz2)
skipping to change at line 185		skipping to change at line 185
if method in _self.keyword:		if method in _self.keyword:
method = _self.keyword[method][0]		method = _self.keyword[method][0]
else:		else:
raise pymol.CmdException(method, 'Unknown method')		raise pymol.CmdException(method, 'Unknown method')
for model in models:		for model in models:
x = method(mobile='?%s & ?%s' % (sele_name, model),		x = method(mobile='?%s & ?%s' % (sele_name, model),
target='?%s & ?%s' % (sele_name, reference), **kwargs)		target='?%s & ?%s' % (sele_name, reference), **kwargs)
if not quiet:		if not quiet:
if _self.is_sequence(x):		if _self.is_sequence(x):
print('%-20s RMS = %8.3f (%d atoms)' % (model, x[0], x[1 ]))		print('%-20s RMSD = %8.3f (%d atoms)' % (model, x[0], x[ 1]))
elif isinstance(x, float):		elif isinstance(x, float):
print('%-20s RMS = %8.3f' % (model, x))		print('%-20s RMSD = %8.3f' % (model, x))
elif isinstance(x, dict) and 'RMSD' in x:		elif isinstance(x, dict) and 'RMSD' in x:
natoms = x.get('alignment_length', 0)		natoms = x.get('alignment_length', 0)
suffix = (' (%s atoms)' % natoms) if natoms else ''		suffix = (' (%s atoms)' % natoms) if natoms else ''
print('%-20s RMS = %8.3f' % (model, x['RMSD']) + suffix)		print('%-20s RMSD = %8.3f' % (model, x['RMSD']) + suffix )
else:		else:
print('%-20s' % (model,))		print('%-20s' % (model,))
if zoom:		if zoom:
_self.zoom(sele_name)		_self.zoom(sele_name)
_self.delete(sele_name)		_self.delete(sele_name)
def alignto(target='', method="cealign", selection='', quiet=1, _self=cm d, **kwargs):		def alignto(target='', method="cealign", selection='', quiet=1, _self=cm d, **kwargs):
"""		"""
DESCRIPTION		DESCRIPTION
End of changes. 3 change blocks.
3 lines changed or deleted		3 lines changed or added

---