On 01/09/2023 17:40, Eleanor Dodson wrote:
Is that coot in the latest ccp4 distribution?
By "that" I presume you mean "Coot 0.9.8.92." No, it is not. Currently
it is merely a twinkle in the developer's eye.
I'll try to find some time next week to make a release.
Paul.
On Fri, 1 Sep
Is that coot in the latest ccp4 distribution?
On Fri, 1 Sep 2023 at 17:37, Paul Emsley wrote:
> Dear Eleanor
>
>
> On 01/09/2023 13:19, Eleanor Dodson wrote:
>
> *COOT problem first: or is it REFMAC ? *
> REFMAC outputs coordinates in both pdb and cif format. They are
> identical
> *This model
Dear Eleanor
On 01/09/2023 13:19, Eleanor Dodson wrote:
*COOT problem first: or is it REFMAC ? *
REFMAC outputs coordinates in both pdb and cif format. They are
identical
*This model has ZN linked to CYSs etc..*
The PDB files provides the link records but the cif file does not.
Yes, it is coordinated to the CYS residues. So maybe it does need to be
shown as having links
I was just confused because links for covalent bonds look the same as for
coordinations.
W
On Fri, 1 Sept 2023 at 13:31, Eleanor Dodson
wrote:
> But ZN IS coordinated to the CYS surely? and if you
Just to clarify, I don't think there should be links from the Zn to the
cysteines. The Zn should just be a coordinated metal.
But there is a covalent link from DRG C2 to SG Cys417
Thanks
Wendy
On Fri, 1 Sept 2023 at 13:19, Eleanor Dodson
wrote:
> *COOT problem first: or is it REFMAC ? *
>
But ZN IS coordinated to the CYS surely? and if you dont specify a LINK
refinement will apply VDW repulsion to keep the atoms apart??
E
On Fri, 1 Sept 2023 at 13:30, Wendy Offen wrote:
> Just to clarify, I don't think there should be links from the Zn to the
> cysteines. The Zn should just be
*COOT problem first: or is it REFMAC ? *
REFMAC outputs coordinates in both pdb and cif format. They are identical
*This model has ZN linked to CYSs etc..*
The PDB files provides the link records but the cif file does not.
eleanor@wombat job_187 % grep -i link
