Re: [AMBER] parmed.py bug when using the "parmout" command ?

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Thu, 24 Oct 2013 19:20:35 +0200

Re-installation does not solve the issue ...

Best
Vlad


On 10/24/2013 07:15 PM, Vlad Cojocaru wrote:
> These are the 2 lines output by "grep has_key
> $AMBERHOME/bin/ParmedTools/ParmedActions.py " ..
>
> if arg_list.has_key('netcdf'):
> if arg_list.has_key('netcdf'):
>
> I will try reinstalling...
>
> Best
> Vlad
>
> On 10/24/2013 07:09 PM, Jason Swails wrote:
>> On Thu, Oct 24, 2013 at 12:31 PM, Vlad Cojocaru <
>> vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>>
>>> I tested it and "outparm" produces exactly the same error.
>>>
>> This must be due to the fact that ArgumentList is actually being pulled
>> from somewhere else. You can look at the source code, has_key() is
>> definitely a defined attribute of ArgumentList, and all of the ParmEd tests
>> must fail when parmout and outparm do not work. It is impossible for this
>> error to occur when the correct ArgumentList is being imported into ParmEd,
>> so either there is an old ParmedTools package somewhere that is in
>> PYTHONPATH or ParmedTools somehow got corrupted in your $AMBERHOME/bin
>> directory. What does the command:
>>
>> grep has_key $AMBERHOME/bin/ParmedTools/ParmedActions.py
>>
>> return? Does it appear to be present?
>>
>> You can try to re-install ParmEd and see if that fixes things.
>>
>> cd $AMBERHOME/AmberTools/src/parmed
>> make uninstall
>> make install
>>
>> Good luck,
>> Jason
>>

-- 
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cell and Developmental Biology
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Thu Oct 24 2013 - 10:30:03 PDT
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