Hi Edward,
Think you for your email. About the question of "sampleconditions", I
have asked you before, and I have read the relax manual, there are
some informations about seting "sampleconditions" when useing
bmrb.read in relax manual, I am sorry I am still confused about it,
following is from the text of 17226,
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 17226
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
in this case, bmrb.read(file='C:\\Program
Files\\relax-2.1.2\\17226.txt', dir=None,
version=3.1,sampleconditions=_Sample_condition_list.Sf_category) is
correct?
Thank you.
Regards,
Mengjun
Quoting Edward d'Auvergne <[email protected]>:
Hi Mengjun,
For the message:
RelaxError: The keyword argument 'sampleconditions' is unknown.
this is relax telling you directly that you have done something wrong.
I would recommend you look at the documentation for the bmrb.read
user function (by typing help(bmrb.read) in the relax prompt mode or
looking at the manual http://www.nmr-relax.com/manual/bmrb_read.html).
From this documentation, you should see why sampleconditions as an
argument is a problem. I hope this helps.
Regards,
Edward
On 31 January 2013 15:12, anonymous <[email protected]> wrote:
Follow-up Comment #5, sr #2998 (project relax):
Hi Edward,
Thank you very much for your answers. I have add H atoms to 1RTE.pdb by
program reduce, and get 1RTE_H.pdb, after that, I delete all the "CONECT
records" in 1RTE_H.pdb, and get 1RTE_H_trunc.pdb. And run
dauvergne_protocol.py again, this time, the RelaxError: The keyword argument
'sampleconditions' is unknown.
Attached please find the file 1RTE_H.pdb,
1RTE_H_trunc.pdb,dauvergne_protocol.py, log0131. Thank you.
Regards,
Mengjun
(file #17073, file #17074, file #17075, file #17076)
_______________________________________________________
Additional Item Attachment:
File name: 1RTE_H.pdb Size:203 KB
File name: 1RTE_H_trunc.pdb Size:175 KB
File name: dauvergne_protocol.py Size:11 KB
File name: log0131 Size:31 KB
_______________________________________________________
Reply to this item at:
<http://gna.org/support/?2998>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-devel mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-devel mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
