Subject: Re: XEASY.prot format problem +SPARKY
From: pp_muscimol
Date: Feb 8, 2007
Previous: 347
Hello guys,
could you please take a look below ...there is several errors when
using aria2 --convert conversionexample.xml
thanks
Example of my file SPARKY NOE (with spaces as it shows)
Assignment w1 w2 Volume Fit Height
L1Ha-Q2HN 4.061 8.742 1.21e+07 ga 353223
L1Hb-Ha 1.796 4.061 6.83e+06 ga 454310
L1Hb-Q2HN 1.794 8.742 4.96e+06 ga 17108
Example of my chemshift list
Group Atom Nuc Shift SDev AssiGNmeNts
L1 HA 1H 4.062 0.001 4
F17 HB2 1H 3.229 0.002 4
F17 Y36D# 1H 7.175 0.000 1
G18 HA2 1H 3.994 0.000 2
G18 HA3 1H 3.832 0.000 2
G18 HN 1H 8.210 0.001 8
E19 HN 1H 8.114 0.002 10
Error produced when using : aria2 --convert conversionexample.xml....
Traceback (most recent call last):
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 1761,
in _convert_chemicalshifts
shifts.parse(settings[input], settings[format])
File /usr/local/bin/aria2/aria2.0/src/py/conversion.py, line 582,
in parse
r.ReadSparky(file)
AttributeError: PpmList instance has no attribute ReadSparky
--- In nmr_sparky@yahoogroups.com , Suzuki, Rintaro rin@... wrote:
with %1d gives error again!!!
Is this error caused by the intensity method e?
e means ellipse and m means maximum.
Please refer to this page.
http://hugin.ethz.ch/wuthrich/software/xeasy/xeasy_m9.html#ii
The following alteration of xeasy.py will change e to m in output.
213c213
intensity_method = e
---
intensity_method = m
219c219
intensity_method = e
---
intensity_method = m