Hi,
Horst, I just have a few quick questions about the bug report.
Residue 3 appears to be selected yet not have a CSA value. Is this
correct? The fix should be relatively easy, it's probably that the
CSA value of 'None' needs to be caught and handled properly. Another
thing is, would you be able to attach your relax script to the bug
report. It will help to work out why the global_flag variable has not
been set yet (it should exist).
Thanks,
Edward
On 7/4/06, anonymous <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/bugs/?func=detailitem&item_id=6288>
Summary: errors in value.copy and value.delete,
possibly> sequence gap related...
Project: relax
Submitted by: None
Submitted on: Tuesday 07/04/2006 at 06:34 CEST
Category: None
Priority: 5 - Normal
Severity: 4 - Important
Status: None
Privacy: Public
Assigned to: None
Originator Name: Horst Joachim Schirra
Originator Email: h.schirra@xxxxxxxxx
Open/Closed: Open
Release: 1.2.2
Operating System: GNU/Linux
_______________________________________________________
Details:
Hi Ed,
Using relax 1.2.2. under linux.
I'm currently trying to backcalculate some raw relaxation data
(R1 etc) from
a set of microdynamic parameters that I got.
1) When I do
value.copy(run_name, 'test', 'csa')
to copy the parameters from the run where they originated into
the new run
'test', I get the following error:
Traceback (most recent call last):
File "<console>", line 1, in ?
File "/home/h.schirra/relax_1.2.2/prompt/value.py", line 99, in
copy> self.__relax__.generic.value.copy(run1=run1, run2=run2,
param=param)> File
"/home/h.schirra/relax_1.2.2/generic_fns/value.py", line 82, in copy
set(run=run2, value=value, error=error, param=param, index=i)
File "/home/h.schirra/relax_1.2.2/specific_fns/base_class.py",
line 154, in
set
setattr(self.relax.data.res[self.run][index], object_name,
float(value) *
scaling)
TypeError: float() argument must be a string or a number
same happens with most other parameters (e.g. s2, s2f, etc).
When I check with
value.display('test', 'csa')
what has arrived, I get:
Num Name Value Error
1 CYS 2.4999999999999998e-05 None
2 GLY None None
3 GLU None None
....
HINT: Gly 2 is not selected in the relax run. I assume the error
lies> somewhere in that copy vcan't deal yet with gap residues...
Sequence:
relax> sequence.display(run_name)
Number Name Selected
1 CYS 1
2 GLY 0
3 GLU 1
4 THR 1
5 CYS 1
6 VAL 1
7 GLY 0
8 GLY 0
9 THR 1
10 CYS 1
11 ASN 1
12 THR 1
13 PRO 1
14 GLY 0
15 CYS 1
16 THR 1
17 CYS 1
18 SER 1
19 TRP 1
20 PRO 1
21 VAL 1
22 CYS 1
23 THR 1
24 ARG 1
25 ASN 1
26 GLY 0
27 LEU 1
28 PRO 1
29 VAL 1
===================================================
2) Related. when I try to delete the original relaxation data
from run
run_name, I get the following error:
relax> relax_data.delete(run_name, 'R1', '500')
Traceback (most recent call last):
File "<console>", line 1, in ?
File "/home/h.schirra/relax_1.2.2/prompt/relax_data.py", line
198, in
delete
self.__relax__.specific.relax_data.delete(run=run,
ri_label=ri_label,> frq_label=frq_label)
File "/home/h.schirra/relax_1.2.2/specific_fns/relax_data.py",
line 432, in
delete
index = self.find_index(data)
File "/home/h.schirra/relax_1.2.2/specific_fns/relax_data.py",
line 501, in
find_index
if self.global_flag == 1:
AttributeError: Rx_data instance has no attribute 'global_flag'
====================================
Any ideas?
Thanks a lot in advance!!
Horst Joachim
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?func=detailitem&item_id=6288>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
Fwd: Re: [bug #6288] errors in value.copy and value.delete, possibly sequence gap related...