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-------- 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.
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