Dear aria2.3 users
I am getting following error while start aria2.3 run for homo-dimer protein !
/home/hanmin/aria2.3/src/py/aria/Project.py:48: DeprecationWarning:
the md5 module is deprecated; use hashlib instead
import md5
96 % of the peaks of spectrum "c13noesy" have been removed. This might
be due to a wrong choice of the peak size type ("volume" or
"intensity") that will be used for calibration and the definition of
distance bounds.
actually I am using intensity as peak size type , i tried both separately ( volume or intensity ) , still it is complaining same !
could you please suggest to do needful !
Loading project "S100P_project3.xml"...
MESSAGE [Project]: Temporary directory has been set to /home/hanmin/srinivas/
aria_temp.tmpZ9nIC31339995374
MESSAGE [Project]: Checking host list ...
MESSAGE [Job manager]: Command "csh" ... ok.
MESSAGE [Project]: -------------------- Reading data --------------------
MESSAGE [Project]: Cache is enabled.
/home/hanmin/aria2.3/src/py/aria/Project.py:48: DeprecationWarning:
the md5 module is deprecated; use hashlib instead
import md5
MESSAGE [Project]: Loading cached data files...
MESSAGE [Project]: Reading molecule definition /home/hanmin/srinivas/6/run5/
data/sequence/sequence.xml.
MESSAGE [Project]: Reading spectrum /home/hanmin/srinivas/6/run5/data/spectra/
S100PN15.xml.
MESSAGE [Project]: Reading chemical shift list /home/hanmin/srinivas/6/run5/
data/spectra/shifts1.xml.
MESSAGE [Project]: Reading spectrum /home/hanmin/srinivas/6/run5/data/spectra/
S100Pc131.xml.
MESSAGE [Project]: Reading chemical shift list /home/hanmin/srinivas/6/run5/
data/spectra/shifts2.xml.
MESSAGE [Project]: Reading spectrum /home/hanmin/srinivas/6/run5/data/spectra/
c13filternoe1.xml.
MESSAGE [Project]: Reading chemical shift list /home/hanmin/srinivas/6/run5/
data/spectra/shifts3.xml.
MESSAGE [Project]: Data files read.
MESSAGE [Project]: ------------------- Filtering input data -------------------
MESSAGE [Project]: Applying filters to spectrum/shiftlist "n15noesy":
MESSAGE [Project]: Chemical shift list filtered: 696 / 2270 shifts (30.66 %)
removed.
MESSAGE [Project]: NOESY spectrum "n15noesy" filtered: 1990 / 2315 peaks (85.96
%) removed. Details:
MESSAGE [Project]: - no. of invalid proton 1 shifts: 0
MESSAGE [Project]: - no. of invalid proton 2 shifts: 0
MESSAGE [Project]: - no. of invalid peak sizes: 0
MESSAGE [Project]: - no. of diagonal peaks: 88
MESSAGE [Project]: - no. of unassigned peaks: 1908
MESSAGE [Project]: Applying filters to spectrum/shiftlist "c13noesy":
MESSAGE [Project]: Chemical shift list filtered: 696 / 2270 shifts (30.66 %)
removed.
MESSAGE [Project]: NOESY spectrum "c13noesy" filtered: 4107 / 4282 peaks (95.91
%) removed. Details:
MESSAGE [Project]: - no. of invalid proton 1 shifts: 8
MESSAGE [Project]: - no. of invalid proton 2 shifts: 4
MESSAGE [Project]: - no. of invalid peak sizes: 0
MESSAGE [Project]: - no. of diagonal peaks: 477
MESSAGE [Project]: - no. of unassigned peaks: 3986
Traceback (most recent call last):
File "/home/hanmin/aria2.3/aria2.py", line 903, in <module>
verbose_level, use_condor=condor)
File "/home/hanmin/aria2.3/aria2.py", line 811, in run_aria
project.load_and_preprocess_data()
File "/home/hanmin/aria2.3/src/py/aria/Project.py", line 1427, in
load_and_preprocess_data
self.preprocess_data()
File "/home/hanmin/aria2.3/src/py/aria/Project.py", line 1444, in
preprocess_data
filter_results.append(self.apply_filters(experiment))
File "/home/hanmin/aria2.3/src/py/aria/Project.py", line 1254, in
apply_filters
experiment.getName()))
File "/home/hanmin/aria2.3/src/py/aria/ariabase.py", line 211, in error
raise exception, msg
ValueError: USER ERROR <aria.Project.ProjectSingleton> File
"/home/hanmin/aria2.3/src/py/aria/Project.py", line 1444 in
preprocess_data
96 % of the peaks of spectrum "c13noesy" have been removed. This might
be due to a wrong choice of the peak size type ("volume" or
"intensity") that will be used for calibration and the definition of
distance bounds.
[hanmin@HP133 ~/srinivas]$
--
*Best Regards
*
*Srinivasa Rao Penumutchu
Ph.D. Research Scholar
Protein NMR Lab , II floor-218
Department of Chemistry
National Tsing Hua University,
Hsinchu, Taiwan.
Ph: 886357151-35605,M:+886-912894534 , **
Email- [log in to unmask] ,[log in to unmask]
web:http://www.researchgate.net/profile/Srinivas_Penumutchu/
*
|