On 06/21/2018 03:34 PM, John Berrisford wrote:
From a PDB deposition point of view, I echo Paul’s comment. If possible,
please move your molecule closer to the origin. It helps with the curation
process and is easier for users of your entry as some software struggles with
such extreme transfo
And so does MOLREP..
Phaser too please?
E
And Paul - yes; please cut and paste..
E
On 21 June 2018 at 20:00, George Sheldrick
wrote:
> For small molecules, programs such as SHELXT move the structure to be as
> near as possible to the center of the unit-cell, not the origin. Failure to
> do so
For small molecules, programs such as SHELXT move the structure to be as
near as possible to the center of the unit-cell, not the origin. Failure
to do so may cause a 'checkCIF alert'.
George
On 06/21/2018 09:34 PM, John Berrisford wrote:
From a PDB deposition point of view, I echo Paul’s c
>From a PDB deposition point of view, I echo Paul’s comment. If possible,
>please move your molecule closer to the origin. It helps with the curation
>process and is easier for users of your entry as some software struggles with
>such extreme transformations.
Regards
John
From: CCP
On 21/06/18 18:36, Eleanor Dodson wrote:
> Paul - where and what is the definition of this line??
>
>
Dear Eleanor,
It is not clear to me how I should answer other than cutting and pasting
Section 4.11 "Symmetry" of the manual. Is that what you want me to do?
Regards,
Paul.
###
Paul - where and what is the definition of this line??
eleanor
On 21 June 2018 at 17:29, Paul Emsley wrote:
>
> On 20/06/18 20:49, Anurag Misra wrote:
>
> What is the meaning of the last field — the one in curly brackets -- that
> describes the symmetry transformation of a given molecule in coo
On 20/06/18 20:49, Anurag Misra wrote:
> What is the meaning of the last field — the one in curly brackets -- that
> describes the symmetry transformation of a given molecule in coot?
See Section 4.11 of Coot User Manual: "Symmetry"
> For example, for
> a given X Y Z, coot displays the symmet
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