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stuck email, try again... -------- Original Message -------- Subject: Re: reading chiral restraints from grade's cif files Date: Wed, 30 Nov 2011 17:51:14 +0000 From: Paul Emsley <[log in to unmask]> To: [log in to unmask] <[log in to unmask]> CC: [log in to unmask] <[log in to unmask]> On 30/11/11 15:34, Judit Debreczeni wrote: > >>> Coot, however, ignores such records entirely, so the chirality remains >>> unrestrained, cannot be edited in the restraints editor or flipped by >>> a keystroke. Using 0.7-pre-1 (revision 3792) [with guile 1.8.7 >>> embedded] [with python 2.7.0 embedded]. >>> >>> Bug? Oversight? Feature? >>> >>> >> Oversight. I didn't think that anyone would be so contrary as to format >> their chirality in such a way (it seems to me that they must have gone out >> of their way to do so - I wonder why...) >> > > Contrary? -- We are talking about the genuine and vanilla RCSB cif > parser which I thought should be the gold standard? It took me a little while to understand what you meant. Yes, I suppose that this could well be the "RCSB blessed" way of handling such situations - and grade is merely following the rules. I take it back. >> Anyway, it's something that I should fix. I'll add it for 0.7. revision 3793. Paul.