>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: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> 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 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 symmetry transformation of an equivalent
position as " -X, Y+1/2, Z + (0 -1 1) & { 1 0 1 }”.
Can the symmetry molecule be written like bellow by summing respective values?
In the general case, no. Move your molecule closer to the origin - so that the
pre-translation is (0,0,0) - then coot will report "conventional" symmetry.
Regards,
Paul.
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