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 <[email protected]>
To: [email protected] <[email protected]>
CC: [email protected] <[email protected]>
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.
