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, <[email protected]> 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:[email protected]] IM AUFTRAG
VON xaravich ivan
GESENDET: Montag, 29. Juni 2015 09:43
AN: [email protected]
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
--
##################################################
Dr Gabor Bunkoczi
Cambridge Institute for Medical Research
Wellcome Trust/MRC Building
Addenbrooke's Hospital
Hills Road
Cambridge CB2 0XY
##################################################
