Dear Paul and Co.,
As you ask for suggestions here goes mine. I would suggest that maybe the
way in which angles can be changed in "ligands" could be improved. Although
your real space refine is extremely powerful sometimes at low resolution or
with funny maps, it is sometimes difficult to get things right where I want
them. If there was a function to rotate about a certain angle or if when
using rotate chi angles on a hetero molecule it gave a bit more choice that
would do the trick.
Hope this helps,
Juan
[log in to unmask] wrote:
> Dear Paul and fellow Coot Club members
> Can't resist adding my 0.0143th* of a Euro
> One thing I'd like is for the residue to light up when I click on
> mutate and then a residue - sometimes Coot misunderstands which I
> clicked and suddenly a residue in the background changes erroneously
> before I am aware I screwed up.
I'd say that Coot needs a less simple-minded algorithm for finding the
picked atom. At the moment it doesn't have an concept of "in front" or
"at the back" - it should have.
> Another thing - which may be possible already but haven't figured it
> out - is I often find that I am moving say two strands of beta sheet
> but I can't find a way to select them both - there is click on first
> and last residue but that selects all the loop between them too.
Yes, this has been requested - it is an important and powerful feature
- and not easy to implement. It is scheduled for 0.8.
> Final request is for more pure fun like the popup help message on
> 'rigid body fit zone' - this sort of thing just cheers up the dullest
> day at the workstation.
:-) I have a couple of things in mind - also scheduled for 0.8.
>
> On Sep 12 2007, Schubert, Carsten [PRDUS] wrote:
>
>> Hi Paul,
>>
>> couple things which may help making coot (even) better:
>>
>> -Ability to fix certain atoms in real space refinement. It would be
>> useful to be able to anchor a couple of atoms of a residue or ligand
>> and the just be able to refine the less well ordered parts, or the
>> parts for which there is less well defined density.
Yes, I agree. This will come at the same time as multiple residue ranges.
>>
>> -Ability to display/undisplay a selection. Sometimes that would be
>> useful to give a less cluttered view of the point of interest. I know
>> there is a workaround with creating a new fragment and displaying
>> that but not very elegant. I suppose the sequence view could be used
>> to define a selection, which could them be a separate item in the
>> display manager.
>>
I'm being won around to the idea - but it is not a priority. If Coot
gains the ability for multiple representations, arbitrary atom
selections and colours should be part of that too.
Any more requests? ;-)
Paul.
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