Re: [ccp4bb] RAMACHANDRAN outlier of Thr

2019-06-20 Thread Robbie Joosten
P4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > ??? > Sent: Thursday, June 20, 2019 10:24 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] RAMACHANDRAN outlier of Thr > > Dear all > > The problem is when I check RAMACHANDRAN outlier with coot, it shows >

[ccp4bb] RAMACHANDRAN outlier of Thr

2019-06-20 Thread 张士军
Dear all The problem is when I check RAMACHANDRAN outlier with coot, it shows zero, while it become one Thr outlier in phenix.vadition. so I am confusing about the standard of RAMACHANDRAN outlier in coot and phenix.validation, any difference between them? Thanks yours shijun ##

Re: [ccp4bb] Ramachandran outlier

2015-01-21 Thread Eleanor Dodson
But turn on the Ramachandran restraints in the box.. And ALWAYS make sure there is no obvious error before trying it - CISPEP? - missing density etc.. Eleanor On 21 January 2015 at 06:23, Dialing Pretty < 03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote: > Dear All, > > Real space refinem

[ccp4bb] Ramachandran outlier

2015-01-20 Thread Dialing Pretty
Dear All, Real space refinement in COOT is one important strategy to reduce Ramachandran outlier, right? Dialing

Re: [ccp4bb] Ramachandran outlier

2015-01-13 Thread Atul Kumar
I don't think, online server of autobuster is available. It is freely available, you can install it and run locally. https://www.globalphasing.com/buster/manual/autobuster/manual/index.html Atul On 1/13/15, rohit kumar wrote: > Hi, > Is Autobuster a online server? > On 13-Jan-2015 2:27 pm, "Atu

Re: [ccp4bb] Ramachandran outlier

2015-01-13 Thread rohit kumar
Hi, Is Autobuster a online server? On 13-Jan-2015 2:27 pm, "Atul Kumar" wrote: > Dear Rohit, > > You can follow the way Tim suggested. At low resolution and for disordered > regions, autobuster works well for refinement. > > Atul > > On Tue, Jan 13, 2015 at 7:47 AM, Tim Gruene > wrote: > >> Dea

Re: [ccp4bb] Ramachandran outlier

2015-01-13 Thread Atul Kumar
Dear Rohit, You can follow the way Tim suggested. At low resolution and for disordered regions, autobuster works well for refinement. Atul On Tue, Jan 13, 2015 at 7:47 AM, Tim Gruene wrote: > Dear Rohit Kumar Singh, > > you can remove a couple of residues before and after the outlier and > reb

Re: [ccp4bb] Ramachandran outlier

2015-01-12 Thread Tim Gruene
Dear Rohit Kumar Singh, you can remove a couple of residues before and after the outlier and rebuild it. You can also switch on Ramachandran restraints in Coot and run real-space refinement. If this does not help, I would delete a single residue within the region in question, run real-space refine

Re: [ccp4bb] Ramachandran outlier

2015-01-12 Thread rohit kumar
Hello all, if outlier is in between 5 to 6 %, how someone can fix it. As the resolution is low (3.0-3.5 A). On Mon, Jan 12, 2015 at 7:53 PM, Robbie P. Joosten wrote: > Hi Dialing, > > 86% favoured can actually be quite okay for an initial model. As long as > it doesn't have 14% in the disallowe

Re: [ccp4bb] Ramachandran outlier

2015-01-12 Thread Robbie P. Joosten
Hi Dialing, 86% favoured can actually be quite okay for an initial model. As long as it doesn't have 14% in the disallowed region, the vast majority of residues will be correct, or close enough to the correct answer that they can be fixed easily. Of course, such a model will need tweaking, bu

[ccp4bb] Ramachandran outlier

2015-01-12 Thread Dialing Pretty
Dear All, If an initial PDB has only 86% residues in the Ramachandran favored region, it would mean there is a significant error (for example significant length of protein fragment in the total protein assigned to the wrong electron density map position) , right? Dialing