On 14/06/2024 13:21, Nav wrote:
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Hi Coot users,

I'm a new COOT user and using version 0.9.8.

I'm trying to write a Python script and  I want to insert an atom to a position 
based on a criteria.
My input is the new x,y,z coordinates I have calculated.
Could you help me with that?

It can be done with the mouse clicked position with 
'place_typed_atom_at_pointer'.
But how do I use this function with an x,y,z coordinate I provide as an input 
in a Python script?
call `set_rotation_centre(1.1, 2,2. 3.3)` before you add the atom
Or is there any other better way to do this?

Seems like a fine enough way to me.


Also is it possible to give a different color(or representation) to a residue I 
added, without changing other residues in a script?

To set the "colour" of a molecule:

`set_molecule_bonds_colour_map_rotation(imol, theta_degrees)`

That's probably not what you want though.

So, what you want is not possible in Coot 0.9.x it seems to me. The workaround is to create a copy of the residue as an unclickable single-residue molecule.

(ex: a additional water molecule added will be a different representation and 
all that existed water and other residues before will be the same as before)

Yeah.. the single-residue molecule workaround will work for that.

Paul.

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