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Thanks Paul,

You think of everything, if only I always knew how to find it...

I added this line to my key bindings:

(add-key-binding "Goodbye weak waters" "z" (lambda ()
(delete-checked-waters-baddies 0 300 0.8 2.0 3.8 0 0 1)))

which followed from your post with arguments of imol, b factor limit, sigma
level limit, min dist, max dist, part_occ_contact_flag, zero_occ_flag,
logical_and_or_flag

So as advertised this seems to remove mostly the weak waters below 0.8 sigma
of the (current?) map. And I was generous on the B factors and the distances
since often I find that a weak water near a good one can taint the good one
by its proximity, so best to remove the weak before checking the remaining
for distance.

Which brings to mind is there a "check-checked-waters-baddies" that I could
key bind?

Thanks a bunch,
Seth



On Fri, Jun 3, 2011 at 4:37 PM, Paul Emsley <[log in to unmask]>wrote:

> On 03/06/11 23:11, Seth Harris wrote:
>
>> Hi all,
>>
>> I often use the Check/Delete waters dialog to delete only those waters
>> below 0.8 level in the map. I do this often enough that it is high time to
>> find/create a script version, preferably even something I could launch from
>> the command line, or barring that maybe could generate a single-click button
>> on the main menu/control panel.
>>
>> Would that be as simple as falling off a log for some out there to give me
>> pointers or a template to work from? Basically it is scripting whatever that
>> "Validate > Check/Delete waters" dialog is doing.
>>
>> Thanks so much,
>> Seth
>>
>>
> Maybe this will be of some use?
>
>
> http://lmb.bioch.ox.ac.uk/coot/doc/coot/delete_002dchecked_002dwaters_002dbaddies.html#delete_002dchecked_002dwaters_002dbaddies
>
> If you need some help working that up into a menu item we can do that
> tomorrow.
>
> Paul.
>
>
>
>
>