Re: [ccp4bb] The density shown in Pymol and Coot is different.

2011-01-07 Thread Zhihong Yu
Matthew & Nat, Thanks very much, your answers made me much clear about the map manipulating, as well as usage of Refmac and FFT. Just from my results, I think I agree with Nat that "Sigma" and "Weight" is unnecessary when running FFT based on a Refmac-resulted mtz file, since my "A1.map" is exactl

Re: [ccp4bb] The density shown in Pymol and Coot is different.

2011-01-07 Thread Nat Echols
On Fri, Jan 7, 2011 at 2:34 PM, Matthew Franklin wrote: > However, I'm not sure if you're doing the right thing by leaving SIGF > unassigned. I believe this should be assigned to the experimental error, > which is usually called 'SIGF' in your mtz file. I don't know if FFT > actually uses this

Re: [ccp4bb] The density shown in Pymol and Coot is different.

2011-01-07 Thread Matthew Franklin
[mailto:ccp...@jiscmail.ac.uk] On Behalf Of Zhihong Yu Sent: Friday, January 07, 2011 4:31 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] The density shown in Pymol and Coot is different. Hi, Nian, Thanks for your reply. I figured out the problem just now. The difference indeed came from

Re: [ccp4bb] The density shown in Pymol and Coot is different.

2011-01-07 Thread Zhihong Yu
Hi, Nian, Thanks for your reply. I figured out the problem just now. The difference indeed came from my FFT transformation. I just used all default parameters when I transform "A.mtz" to "A.map", so in the "Run FFT" dialog, F1= F, Sigma=SIGF, PHI=PHIC, Weight=Unaasigned, and I got "A.map" under th

[ccp4bb] The density shown in Pymol and Coot is different.

2011-01-07 Thread Zhihong Yu
Hi,all I refined a protein-ligand complex structure using Refmac5 and got the map coefficient "A.mtz" file. I want to represent the electron density in Pymol, so I transformed "A.mtz" into "A.map" ccp4-format map file using FFT in ccp4i (parameters are: generate "simple" map in "CCP4" format to co