Re: [COOT] Colour by chain

2010-11-22 Thread Dirk Kostrewa
Am 22.11.10 10:49, schrieb Eleanor Dodson: On 11/18/2010 05:45 PM, Phil Evans wrote: On 16 Nov 2010, at 13:22, Paul Emsley wrote: Dear Phil, Sorry for the delay, I am only just back from somewhat extensive travels. On 01/11/10 12:26, Phil Evans wrote: If I "colour by chain" (my preferred

Re: [COOT] Colour by chain

2010-11-22 Thread Eleanor Dodson
On 11/18/2010 05:45 PM, Phil Evans wrote: On 16 Nov 2010, at 13:22, Paul Emsley wrote: Dear Phil, Sorry for the delay, I am only just back from somewhat extensive travels. On 01/11/10 12:26, Phil Evans wrote: If I "colour by chain" (my preferred option), metal ions disappear Thanks for the

Re: [COOT] Colour by chain

2010-11-19 Thread Bard, Joel
Crystallographic Software [mailto:c...@jiscmail.ac.uk] On Behalf Of Phil Evans Sent: Thursday, November 18, 2010 12:45 PM To: COOT@JISCMAIL.AC.UK Subject: Re: [COOT] Colour by chain On 16 Nov 2010, at 13:22, Paul Emsley wrote: > Dear Phil, > > Sorry for the delay, I am only just back from somewhat ext

Re: [COOT] Colour by chain

2010-11-19 Thread Ed Pozharski
On Tue, 2010-11-16 at 13:22 +, Paul Emsley wrote: > > also is there any way of refining a zone around a metal ion without > the sidechains vanishing into the metal density? I know the > refine-by-sphere ("R") option works better, but then I have no control > over what I'm refining > > > Had t

Re: [COOT] Colour by chain

2010-11-19 Thread Bernhard Lohkamp
Oops, sorry forgot that I had the one for the latest version where I did some changes. Of course for 'older' version (pre- version 3238 or thereabouts) Phil's command is the one to use. In general replace sphere_refine() with sphere_refine(your_favourite_radius) Done. B That doesn't work

Re: [COOT] Colour by chain

2010-11-19 Thread Phil Evans
That doesn't work in my OSX coot (maybe an oldish version 3072), no button appears The simpler command doe:s coot_toolbar_button("Sphere Refine", "sphere_refine(5.0)", "reset-view.svg") Phil On 19 Nov 2010, at 08:26, Bernhard Lohkamp wrote: > also is there any way of refining a zone ar

Re: [COOT] Colour by chain

2010-11-19 Thread Bernhard Lohkamp
also is there any way of refining a zone around a metal ion without the sidechains vanishing into the metal density? I know the refine-by-sphere ("R") option works better, but then I have no control over what I'm refining Sphere refine is simply a thin layer around the refine-residues functio

Re: [COOT] Colour by chain

2010-11-18 Thread Phil Evans
On 16 Nov 2010, at 13:22, Paul Emsley wrote: > Dear Phil, > > Sorry for the delay, I am only just back from somewhat extensive travels. > > On 01/11/10 12:26, Phil Evans wrote: >> If I "colour by chain" (my preferred option), metal ions disappear > > Thanks for the notification of this bug. It

Re: [COOT] Colour by chain

2010-11-16 Thread Paul Emsley
Dear Phil, Sorry for the delay, I am only just back from somewhat extensive travels. On 01/11/10 12:26, Phil Evans wrote: If I "colour by chain" (my preferred option), metal ions disappear Thanks for the notification of this bug. It is fixed now, rev 3245. also is there any way of refining

Re: [COOT] Colour by chain

2010-11-01 Thread Bernhard Lohkamp
Phil, If I "colour by chain" (my preferred option), metal ions disappear I see, but not all metals disappear (only your favourite ones I guess, e.g. PT is there). Not sure if feature or bug (I guess the latter). also is there any way of refining a zone around a metal ion without the sidech

[COOT] Colour by chain

2010-11-01 Thread Phil Evans
If I "colour by chain" (my preferred option), metal ions disappear also is there any way of refining a zone around a metal ion without the sidechains vanishing into the metal density? I know the refine-by-sphere ("R") option works better, but then I have no control over what I'm refining Phil