Problem Solved - Short Summary
---
Dear all,
First of all, a big thank you to everyone who devoted their precious time to
help figure this out!
Good news, Refmac (tested with v.5.7.0032) does handle alternate sugar
conformations correctly.
As Thomas Lütteke indicate
board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
herman.schreu...@sanofi.com
Sent: 19 April 2013 08:47
To: ccp4bb
Subject: Re: [ccp4bb] Alternate sugar conformations in refmac 5.5.0110
Dear Markus,
I just did a test: I generated in Coot an alternative conformation for an ASN
with attache
: [ccp4bb] Alternate sugar conformations in refmac 5.5.0110
Hi Robbie,
Oops, sorry, I used
CCP4 6.3: Refmac_5.7.0032 version 5.7.0032 : 05/09/12
(confirmed by the log file)
so I am using the current version and the problem still persists.
Thanks!
Markus
On 18/04/13 03:31 PM, Robbie Joosten
Hi Markus,
I had a brief look at the structure fragment that you had included in your
mail, and I don't think that you really observe these two conformations.
Stereochemistry of the A conformation looks fine, but the sugar in the
alternate B conformation is not an NAG but an NDG (i.e. it has an
Sent from my Windows Phone
>
> From: Markus Meier
> Sent: 2013-04-18 22:19
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] Alternate sugar conformations in refmac 5.5.0110
>
> Dear all,
>
> I am
From: Markus Meier
Sent: 2013-04-18 22:19
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Alternate sugar conformations in refmac 5.5.0110
Dear all,
I am trying to refine a beta-D-N-Acetyl glucosamine moiety (NAG) linked
to an asparagine (ASN) in Refmac.
(version CCP4 6.3
Dear all,
I am trying to refine a beta-D-N-Acetyl glucosamine moiety (NAG) linked
to an asparagine (ASN) in Refmac.
(version CCP4 6.3: Refmac_5.5.0110 version 5.5.0110 : 08/05/10)
The sugar has two alternate conformations that occupy the same position in the
electron
density but are rotated
