,
Cheers,
Pierre
De : Garib Murshudov [garib.murshu...@gmail.com] de la part de Garib N
Murshudov [ga...@mrc-lmb.cam.ac.uk]
Date d'envoi : vendredi 28 octobre 2011 17:49
À : LEGRAND Pierre
Cc : CCP4BB@JISCMAIL.AC.UK
Objet : Re: [ccp4bb] RE : [ccp4bb] refmac 5.6 c
e la part de Ed Pozharski
> [epozh...@umaryland.edu]
> Date d'envoi : vendredi 28 octobre 2011 16:00
> À : CCP4BB@JISCMAIL.AC.UK
> Objet : Re: [ccp4bb] refmac 5.6 ccp4 6.2.0
>
> Just to verify, is this by any chance *unrestrained* refinement?
>
> On Fri, 2011-10-28 at 09:37
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Sorry, "should NOT appear in the list of deviations", of course!
- Original Message
Subject: Re: [ccp4bb] refmac 5.6 ccp4 6.2.0
Date: Fri, 28 Oct 2011 17:39:06 +0200
From: Tim Gruene
Reply-To: Tim Gruene
To: CCP4BB@JISC
t; part de Ed Pozharski [epozh...@umaryland.edu]
> Date d'envoi : vendredi 28 octobre 2011 16:00
> À : CCP4BB@JISCMAIL.AC.UK
> Objet : Re: [ccp4bb] refmac 5.6 ccp4 6.2.0
>
> Just to verify, is this by any chance *unrestrained*
> refinement?
>
> On Fri, 2011-10-28 at 09
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Dear all,
If those hydrogens are in riding position, their coordinates are
calculated and should not be refined at all, isn't it? Hence they should
appear in the list of deviations at all.
Are the hydrogens present in the PDB file? Does it work to de
Pozharski
[epozh...@umaryland.edu]
Date d'envoi : vendredi 28 octobre 2011 16:00
À : CCP4BB@JISCMAIL.AC.UK
Objet : Re: [ccp4bb] refmac 5.6 ccp4 6.2.0
Just to verify, is this by any chance *unrestrained* refinement?
On Fri, 2011-10-28 at 09:37 +0200, Tim Gruene wrote:
> -BEGIN PGP SIGNED
Just to verify, is this by any chance *unrestrained* refinement?
On Fri, 2011-10-28 at 09:37 +0200, Tim Gruene wrote:
> -BEGIN PGP SIGNED MESSAGE-
> Hash: SHA1
>
> Dear Kenneth A. Satyshur,
>
> what is your weight set to? If it is set to 'auto', try setting it to a
> specific value and l
[robbie_joos...@hotmail.com]
> Date d'envoi : vendredi 28 octobre 2011 09:42
> À : CCP4BB@JISCMAIL.AC.UK
> Objet : Re: [ccp4bb] refmac 5.6 ccp4 6.2.0
>
> Hi Kenneth,
>
> This looks like an off-by-one bug in the restraint generation. Typical
> sources are weird LINKs,
mail.com]
Date d'envoi : vendredi 28 octobre 2011 09:42
À : CCP4BB@JISCMAIL.AC.UK
Objet : Re: [ccp4bb] refmac 5.6 ccp4 6.2.0
Hi Kenneth,
This looks like an off-by-one bug in the restraint generation. Typical sources
are weird LINKs, wrong atom names and bad luck. I suggest you make sure you
h
x27;t work, we may need a closer
look at your input model.
Cheers,
Robbie
> Date: Thu, 27 Oct 2011 20:48:49 -0500
> From: satys...@wisc.edu
> Subject: [ccp4bb] refmac 5.6 ccp4 6.2.0
> To: CCP4BB@JISCMAIL.AC.UK
>
> Has anyone had problems with Refmac 5.6? I tried refining ou
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Hash: SHA1
Dear Kenneth A. Satyshur,
what is your weight set to? If it is set to 'auto', try setting it to a
specific value and lower that value until the explosion stops.
If this happens at low matrix values (at 1.24A it should be way above 5
or 10 for a well
Has anyone had problems with Refmac 5.6? I tried refining our stucture at 1.24
A,
aniso with H in riding position and it just exploded! I get error in distances
such as
Standard External All
Bonds: 3270 0 3270
Angles
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