Thanks everyone, It works now. cheers, Ivan On Mon, Jun 29, 2015 at 8:59 AM, Gabor Bunkoczi <[email protected]> wrote:
> 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 > ################################################## >
