Hi Sid, I'm not sure I understand what the problem is... Every time you run phenix.refine it produces the PDB file with refined model that has all the refinement details reported under "REMARK 3"; and those details are meant for the deposition to PDB. You are not assumed to do anything manually, except one thing: you need manually remove the first lines where the file names and some statistics step-by-step is reported (till the line that you mention below). Note that nothing is changed in formating the PDB header between the few recent versions of PHENIX. Pavel. On 8/20/2008 6:57 AM, Sudharsan Sridharan wrote:
Hi all,
A quick question about extracting info/preparing pdb file for deposition..........
I've got a pdb file after refinement using phenix 1.3b. I was wondering if there is a way to prepare this file / format this the same way as in 1.3 final where we get "REMARK IF THIS FILE IS FOR PDB DEPOSITION: REMOVE ALL FROM THIS LINE UP" and REMARK 3. i'm already running refinement 1.3 final with the same parameters just to quickly compare the resulting refined files/numbers. I guess I could do it manually but curious if there is an easier way using 1.3 final.
thanks, Sid. _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb