Re: [sr #2998] PDB reading bug in relax -- January 31, 2013 - 15:32

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 <NO-REPLY.INVALID-ADDRESS@xxxxxxx> 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
>
>
>     _______________________________________________________
>
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