Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-30 Thread Jan Dohnalek
> Dale Tronrud >>> >>>> RSRZ, in my most humble of opinions, seems like one of those statistics >>>>> >>>> that >>> >>>> is far more useful in theory than reality. Particularly for >>>>> medium-resolution structures, the fit of each entire sid

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-29 Thread Soisson, Stephen M
edium-resolution structures, the fit of each entire side chain to the >>> density >>>>> is likely to be imperfect because the density is imperfect, especially >>> toward >>>>> the tips of those side chains. >>>>> >>>>> Then

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-29 Thread dusan turk
opers of RSRZ analysis need to tune it a bit to make it fully useful. L. From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Matthew Bratkowski [mab...@cornell.edu] Sent: Tuesday, November 22, 2016 10:12 AM To:CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Cal

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-29 Thread Katherine Sippel
density > > > >> is likely to be imperfect because the density is imperfect, > especially > > > toward > > > >> the tips of those side chains. > > > >> > > > >> Then again, it can be a good flag for bits of the structure worth a > >

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-29 Thread Soisson, Stephen M
t; Then again, it can be a good flag for bits of the structure worth a > > second > > >> look in rebuilding. > > > > > > The latter is certainly true. It may mean that the developers of RSRZ > > > analysis need to tune it a bit to make it fully usef

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-28 Thread Ethan Merritt
be a good flag for bits of the structure worth a > > second > > >> look in rebuilding. > > > > > > The latter is certainly true. It may mean that the developers of RSRZ > > > analysis need to tune it a bit to make it fully useful. > > > > > >

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-28 Thread Pavel Afonine
>> Then again, it can be a good flag for bits of the structure worth a > second > >> look in rebuilding. > > > > The latter is certainly true. It may mean that the developers of RSRZ > > analysis need to tune it a bit to make it fully useful. > > > > L. > >

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-28 Thread Dale Tronrud
analysis need to tune it a bit to make it fully useful. > > L. > >> >> >> From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Matthew >> Bratkowski [mab...@cornell.edu] >> Sent: Tuesday, November 22, 2016 10:12

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-28 Thread esserlo
> Bratkowski [mab...@cornell.edu] > Sent: Tuesday, November 22, 2016 10:12 AM > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports > > Hello all, > > I was wondering if anyone knew how the RSRZ score was calculated in the >

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-28 Thread Pavel Afonine
On Mon, Nov 28, 2016 at 10:17 AM, Phoebe A. Rice wrote: > RSRZ, in my most humble of opinions, seems like one of those statistics > that is far more useful in theory than reality. > Can't agree more! Pavel

Re: [ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-28 Thread Phoebe A. Rice
ts of the structure worth a second look in rebuilding. From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Matthew Bratkowski [mab...@cornell.edu] Sent: Tuesday, November 22, 2016 10:12 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Calculation of RSRZ

[ccp4bb] Calculation of RSRZ Score in PDB Validation Reports

2016-11-22 Thread Matthew Bratkowski
Hello all, I was wondering if anyone knew how the RSRZ score was calculated in the protein data bank validation reports and how useful of a metric this actually is for structure validation? I am trying to improve this score on a structure that I am working on, but I'm not really sure where to beg