Re: [phenixbb] Using a parameter file in GUI

Hi Nat, It seems that the text editor of mac is not recognized by phenix as its not in ASCII format. I could input the file when I saved it in notepad from windows. Thanks a lot for the help. I also want to know whether its possible to assign the charge of the metal in the chelator complex, or is it ignored in refinement. Thanks Subhani On Thu, Feb 2, 2012 at 9:16 AM, Nathaniel Echols wrote:

On Thu, Feb 2, 2012 at 6:56 AM, Subhani Bandara wrote:

...

Am I doing anything wrong and is there any other way to fix the distances of the metal chelator complex.

I should have mentioned that there are at least three other ways to do what you want:

1) in the GUI, run ReadySet (available from the phenix.refine toolbar) to generate the metal coordinate distances (which will be automatically loaded for you) 2) also in the phenix.refine GUI, but only in the latest nightly builds, there is an editor for custom restraints 3) on the command line, phenix.metal_coordination (or phenix.ready_set, but that does other stuff too)

-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb