Hi Ivan,
you need to tell Phaser which ensemble to use for searching. Open the
"Search parameters" tab, and select the ensemble you defined.
HTH, Gabor
On 2015-06-29 16:48, xaravich ivan wrote:
> Hi Herman, CCp4bb,
> Attached you will find the inputs for running phaser with single pdb,
> and the error that is poping up indicating I have not set an ensamble.
> How can I set an ensamble if I have only one PDB? Or do I have to make
> some changes in the input. (I just put an arbitrary name for ensmale
> that sounds similar to the single PDB input (search model) file
> Thanks,
> Ivan
>
> On Mon, Jun 29, 2015 at 1:01 AM, <[log in to unmask]> wrote:
>
>> Dear Ivan,
>>
>> Phaser is perfectly happy with an ensemble consisting of just one
>> molecule. Your error must lay elsewhere, but we would need more
>> information to be able to help you here.
>>
>> Best,
>>
>> Herman
>>
>> VON: CCP4 bulletin board [mailto:[log in to unmask]] IM AUFTRAG
>> VON xaravich ivan
>> GESENDET: Montag, 29. Juni 2015 09:43
>> AN: [log in to unmask]
>> BETREFF: [ccp4bb] Single search Model input in Phaser!!!
>>
>> Now that I am able to run ccp4i, I have a new problem. I generated a
>> search model by chainsaw and I want to run Phaser in CCP4i with this
>> search model as input, but it seems that I only can give an ensamble
>> input and I cannot find a way to input a single chainsaw generated
>> search model in Phaser. Am I missing something or am I only able to
>> use Molrep or programs other than Phaser with one search model as
>> input. Everytime I put my search model in ensamble mode it fails
>> (which is expected I guess) but how can I use only one chainsaw
>> generated search model in Phaser, or can I?
>>
>> Thanks,
>>
>> Ivan
--
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Dr Gabor Bunkoczi
Cambridge Institute for Medical Research
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