You’ve got to put values in for “search parameters,” tell it how many ensembles to look for.
JPK From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of xaravich ivan Sent: Monday, June 29, 2015 11:49 AM To: [email protected] Subject: Re: [ccp4bb] AW: [ccp4bb] Single search Model input in Phaser!!! 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]<mailto:[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]<mailto:[email protected]>] Im Auftrag von xaravich ivan Gesendet: Montag, 29. Juni 2015 09:43 An: [email protected]<mailto:[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
