Subject: Sparky Isopropyl assignment Leu, Val, Iso
From: pp_muscimol
Date: Feb 12, 2007



Hello all,
I have the following error when converting the project in Ariaé.0, and
that comes from the ssignments in Sparky.

........................
File /usr/local/bin/aria2/aria2.0/aria2.py, line 813, in ?
convert_data(args)
File /usr/local/bin/aria2/aria2.0/aria2.py, line 564, in convert_data
converter.convert(filename)
File /usr/local/bin/aria2/aria2.0/src/py/conversion.py, line 1952,
in convert
[self._convert_spectrum(i) for i in range(len(settings[spectrum]))]
File /usr/local/bin/aria2/aria2.0/src/py/conversion.py, line 1859,
in _convert_spectrum
self._convert_chemicalshifts(number)
File /usr/local/bin/aria2/aria2.0/src/py/conversion.py, line 1777,
in _convert_chemicalshifts
naming_convention, segids)
File /usr/local/bin/aria2/aria2.0/src/py/conversion.py, line 1269,
in create_shiftlist
shift_assignments = self._isopropyl_assignment(*args)
File /usr/local/bin/aria2/aria2.0/src/py/conversion.py, line 1006,
in _isopropyl_assignment
message = (Residue %s: inconsistent assignment +
...................
QUESTION::
how do you guys assign the Deltas in Leucines as example in a way that
can be read by Aria?
I used HD1* and HD2* but it seems that Aria does not reads the *.

atom name=HD11 atom_type=H hetero_name=CD1/
atom name=HD12 atom_type=H hetero_name=CD1/
atom name=HD13 atom_type=H hetero_name=CD1/
atom name=HD21 atom_type=H hetero_name=CD2/
atom name=HD22 atom_type=H hetero_name=CD2/
atom name=HD23 atom_type=H hetero_name=CD2/