SFALL in CCP4 and calculate F(model) in Phenix
On Mon, Jul 21, 2014 at 2:46 PM, PC
I was wondering if SFALL in CCP4 and calculate F(model) for a protein will give the same MTZ for a given protein?
Very close, but not exactly identical. I tried this on one of the tutorial structures and the R-factors for comparing resolution shells are all below 0.001 (i.e. 0.1%), with a CC of 1.0, so probably good enough for most purposes. -Nat
Hi Patrick,
I was wondering if SFALL in CCP4 and calculate F(model) for a protein will give the same MTZ for a given protein?
it is unlikely that whatever SFALL calls Fmodel will be the same as Fmodel calculated by a Phenix tool. In Phenix Fmodel is defined as stated in this paper: http://journals.iucr.org/d/issues/2013/04/00/dz5273/dz5273.pdf Pavel
Hi Pavel, Thank you, just out of curiosity is there a phenix equivalent of SFALL? Patrick
-----Original Message----- From: [email protected] Sent: Mon, 21 Jul 2014 16:55:03 -0700 To: [email protected], [email protected] Subject: Re: [phenixbb] SFALL in CCP4 and calculate F(model) in Phenix
Hi Patrick,
I was wondering if SFALL in CCP4 and calculate F(model) for a protein will give the same MTZ for a given protein?
it is unlikely that whatever SFALL calls Fmodel will be the same as Fmodel calculated by a Phenix tool. In Phenix Fmodel is defined as stated in this paper:
http://journals.iucr.org/d/issues/2013/04/00/dz5273/dz5273.pdf
Pavel
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Hi Patric, I don't know what SFALL does. But from the context of your previous questions I figure may be this is relevant: 1) phenix.reciprocal_space_arrays: http://phenix-online.org/version_docs/dev-1750/reference/reciprocal_space_ar... 2) phenix.maps: http://phenix-online.org/version_docs/dev-1750/reference/phenix_maps.html 3) phenix.fmodel: http://phenix-online.org/version_docs/dev-1750/reference/fmodel.html 4) phenix.refine output includes most of what 1-3) generate. Pavel On 7/23/14, 4:06 PM, PC wrote:
Hi Pavel,
Thank you, just out of curiosity is there a phenix equivalent of SFALL?
Patrick
-----Original Message----- From: [email protected] Sent: Mon, 21 Jul 2014 16:55:03 -0700 To: [email protected], [email protected] Subject: Re: [phenixbb] SFALL in CCP4 and calculate F(model) in Phenix
Hi Patrick,
I was wondering if SFALL in CCP4 and calculate F(model) for a protein will give the same MTZ for a given protein? it is unlikely that whatever SFALL calls Fmodel will be the same as Fmodel calculated by a Phenix tool. In Phenix Fmodel is defined as stated in this paper:
http://journals.iucr.org/d/issues/2013/04/00/dz5273/dz5273.pdf
Pavel
FREE 3D EARTH SCREENSAVER - Watch the Earth right on your desktop! Check it out at http://www.inbox.com/earth
On Wed, Jul 23, 2014 at 4:12 PM, Pavel Afonine
I don't know what SFALL does.
http://www.ccp4.ac.uk/html/sfall.html Exactly the same thing that phenix.fmodel does (plus or minus various features). -Nat
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Nathaniel Echols -
Pavel Afonine -
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