Carsten
>
> -Original Message-
> From: Mailing list for users of COOT Crystallographic Software
> [mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Tim Gruene
> Sent: Wednesday, May 27, 2015 12:16 PM
> To: COOT@JISCMAIL.AC.UK
> Subject: Re: [COOT] Dragged refinement fails wi
On 27/05/15 16:16, Oliver Clarke wrote:
Hi all, dragged refinement doesn't seem to work for structures with riding
hydrogens - see linked screen recording showing dragged refinement of the same
structure with and without hydrogens.
https://www.dropbox.com/s/15xs8ylhrx98ljk/dragged_refinement_H
Hi Oliver,
have you really dragged the methyl carbon far enough? I realised that it
can be difficult to flip these with the hydrogens on (since these are
"holding" it back). However, if you drag enough (maybe zoom out) it
should work. In general it may be easier to drag one of the hydrogen
(t
nal Message-
> From: Mailing list for users of COOT Crystallographic Software
> [mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Tim Gruene
> Sent: Wednesday, May 27, 2015 12:16 PM
> To: COOT@JISCMAIL.AC.UK
> Subject: Re: [COOT] Dragged refinement fails with riding hydrogens
>
>
,
Carsten
-Original Message-
From: Mailing list for users of COOT Crystallographic Software
[mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Tim Gruene
Sent: Wednesday, May 27, 2015 12:16 PM
To: COOT@JISCMAIL.AC.UK
Subject: Re: [COOT] Dragged refinement fails with riding hydrogens
Hi Oliver,
unless
[mailto:COOT@JISCMAIL.AC.UK] On Behalf Of Tim Gruene
Sent: Wednesday, May 27, 2015 12:16 PM
To: COOT@JISCMAIL.AC.UK
Subject: Re: [COOT] Dragged refinement fails with riding hydrogens
Hi Oliver,
unless these are neutron data, you could simply remove the hydrogen atoms from
the model before model
Hi Oliver,
unless these are neutron data, you could simply remove the hydrogen atoms from
the model before model building. They would be regenerated on the next round of
refinement. At least this is the philosophy of some refinement programs.
Cheers,
Tim
On Wed, May 27, 2015 at 04:16:38PM +0100
