[phenixbb] nqh-flip option: Please neglect previous mail.

Young-Jin Cho yjcho at brandeis.edu
Thu Sep 16 06:49:04 PDT 2010


Sorry for my previous e-mail. By accident, it was sent to everyone.

FYI. Mac GUI has somewhat a bug for this NQH-flip function that I mentioned earlier coupled with residue numbering. It is now in fixing process by Jeff.

Then have a good day!

Young-Jin

On Sep 16, 2010, at 11:25 AM, Christian Roth wrote:

> Dear all,
> 
> I installed a new version of phenix (1.6.4-486) and the NQH-flip function works 
> fine (also from gui). 
> Thanks a lot for your help 
> 
> Christian
> 
> 
> 
> Am Freitag 10 September 2010 17:13:15 schrieb Pavel Afonine:
>>  Hi Young-Jin,
>> 
>> could you please try the latest PHENIX version and see if it works. If
>> it still doesn't work, please let us know and we will investigate.
>> 
>> http://www.phenix-online.org/download/nightly_builds.cgi
>> 
>> Pavel.
>> 
>> On 9/10/10 8:09 AM, Young-Jin Cho wrote:
>>> Hi Pavel,
>>> Recently I experienced similar to Christian's case: when I clicked that
>>> option from GUI, I got an error message but without click that option,
>>> everything was all right. (My phenix version is 1.6.4-486)
>>> 
>>> Young-Jin
>>> 
>>> On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
>>>> Hi Christian,
>>>> 
>>>> in the latest PHENIX version the nqh-flip option is enabled by default.
>>>> 
>>>> Pavel.
>>>> 
>>>> On 9/10/10 5:36 AM, Jeff Headd wrote:
>>>>> Hi Christian,
>>>>> 
>>>>> The version of PHENIX that you are using is fairly old and as far as I
>>>>> can recall was released before I had completed the NQH-flips method.
>>>>> I would recommend upgrading to at least the most recent release or
>>>>> even the latest released nightly build.  Both will have a functional
>>>>> NQH routine.
>>>>> 
>>>>> If you have any further questions please let me know.
>>>>> 
>>>>> Thanks,
>>>>> Jeff
>>>>> 
>>>>> On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
>>>>> 
>>>>> <christian.roth at bbz.uni-leipzig.de>   wrote:
>>>>>> Dear all,
>>>>>> 
>>>>>> I put manually in the parameterfile from the gui the option
>>>>>> nqh_flips=True. After the run starts, a popup comes up claiming about
>>>>>> an invalid unsupported option and the refinement stops without
>>>>>> producing any file, even not a log-file. Does the nqh option not
>>>>>> longer exists or what happend here?
>>>>>> I use at the moment phenix 1.6-289.
>>>>>> 
>>>>>> Thanks for your help.
>>>>>> 
>>>>>> 
>>>>>> Christian
>> 
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> 
> 
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