to orig
coordinates
Would something like that work?
*From:*CCP4 bulletin board *On Behalf Of *Paul Emsley
*Sent:* 21 June 2018 17:30
*To:* CCP4BB@JISCMAIL.AC.UK
*Subject:* Re: [ccp4bb] Regarding symmetry notion in coot
On 20/06/18 20:49, Anurag Misra wrote:
What is the meaning of the last field
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
hn
From: CCP4 bulletin board On Behalf Of Paul Emsley
Sent: 21 June 2018 17:30
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Regarding symmetry notion in coot
On 20/06/18 20:49, Anurag Misra wrote:
What is the meaning of the last field — the one in curly brackets -- that
describes
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
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
Dear all,
What is the meaning of the last field — the one in curly brackets -- that
describes the symmetry transformation of a given molecule in coot? For
example, for
a given X Y Z, coot displays the symmetry transformation of an equivalent
position as " -X, Y+1/2, Z + (0 -1 1) & { 1 0 1 }”.
