Dear Pavel,
It looks work. But for the refined PDB, it seems it was in read-only format, which I cannot copy. For the all states PDB, it contains the input pdb for the phenix.real_space_refine and the real spaced refined PDB, am I right?
Smith
-------- Forwarding messages --------
From: "Pavel Afonine"
Date: 2015-05-21 14:44:30
To: "Smith Liu" ,[email protected]
Subject: Re: [phenixbb] on B-factor refine of the phenix.real_space_refine
I have a EM map (.mrc), with fitting and based on a crystal structure I got the fitted PDB file. I convert the mrc map to the CCP4 map，
no need to convert .mrc into .ccp4 (isn't it the same thing?). Anyways, phenix.real_space_refine can use both.
and I run phenix.real_space_refine model.pdb map.mtz run=adp, with phenix-dev-2034, in order to get my own b-factors for my fitted PDB based on my EM map. However after the above phenix.real_space_refine, I checked the refined PDB, and I find phenix.real_space_refine neither change the coordinates, nor change the b-factors for each atom.
I need to see the files to be able to comment. If you share the files (off list and not sending directly via email but using things like Dropbox instead) then I will be happy to have a look.
Thus will you please introduce to me how can I get my own b-factors for my fitted PDB in order to deposit my map and fitte pdb to the EM database?
phenix.real_space_refine model.pdb map.mtz run=adp
should just do what you want. If it didn't - see above (I need to see the files).
Pavel
