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That looks to me as if the critical Chi definitions are inappropriate for Phe & Tyr! On 9 Jan 2012, at 12:24, Robbie Joosten wrote: > Hi Phil, > > It is annoying problem especially for Phe and Tyr which have standard > rotamers close to the critical chi angles (-90 and +90). Asp and Glu do not > have standard rotamers near critical angles, so the problem should be much > smaller (but I still get them too often). If Val, Leu and Arg problems > reoccur after refinement, then there is something seriously wrong. > > Cheers, > Robbie > >> -----Original Message----- >> From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of >> Phil Evans >> Sent: Monday, January 09, 2012 12:54 >> To: [log in to unmask] >> Subject: Re: [ccp4bb] chirality problem >> >> The problem with fixing the nomenclature "problems" in Coot is that they > are >> back again after the next round of refinement (or at least some of them > are, >> if they are right on the edge of an arbitrary distinction) - indeed > irritating Phil >> >> On 9 Jan 2012, at 11:43, Paul Emsley wrote: >> >>> On 08/01/12 10:36, ccp4 wrote: >>>> Won't coot fix the nomenclature issue, then you can check whether you >>>> have a real chirality problem - eg a squashed flattened VAL.. >>>> >>> >>> It will indeed [1]. So Afshan need only read in the file, Press OK and > then >> Save. >>> >>> Robbie and I think that it is more likely than not that Afshan did not > really >> have a chirality problem. >>> >>> Afshan and Kim have been in touch and confirm that it is the adit > validation >> report that describes a nomenclature error on a VAL CB as a chirality > problem >> (rather than anything from CCP4). >>> >>> Paul. >>> >>> >>> [1] well, modern ones do [2] >>> [2] and you can turn it off (some people find the feature annoying)