[chimerax-users] Copy attribute value from one attribute to another
Sean Connell
sean.connell at gmail.com
Wed Nov 2 12:17:01 PDT 2022
Thanks so much Elaine and Eric. This is very helpful
> On 2 Nov 2022, at 19:56, Eric Pettersen <pett at cgl.ucsf.edu> wrote:
>
> The Python would be:
>
> for m in session.models:
> if hasattr(m, 'residues'):
> for r in m.residues:
> r.atoms.bfactors = getattr(r, 'seq_conservation', 0.0)
>
> Which you could put into a file with a '.py' suffix, and execute in ChimeraX simply by opening it.
>
> --Eric
>
> Eric Pettersen
> UCSF Computer Graphics Lab
>
>
>> On Nov 2, 2022, at 10:17 AM, Elaine Meng via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
>>
>> Hi Sean,
>> If the sharing is for Chimera or ChimeraX users, you can save it as an "attribute assignment file"
>> <https://rbvi.ucsf.edu/chimerax/docs/user/formats/defattr.html>
>>
>> As for reassigning bfactor with the values of some other attribute, you can do it with a short bit of python, which somebody else on the ChimeraX team can provide (soon). You may lose significant digits writing it out in the bfactor column of a PDB file, however.
>>
>> I hope this helps,
>> Elaine
>> -----
>> Elaine C. Meng, Ph.D.
>> UCSF Chimera(X) team
>> Department of Pharmaceutical Chemistry
>> University of California, San Francisco
>>
>>>> On Nov 2, 2022, at 3:39 AM, Sean Connell via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
>>>
>>> Hello, I have a question with a probably obvious answer but I cannot figure it out.
>>>
>>> Is there a command to copy an attribute value from one attribute to another, for example, seq_conservation to bfactor? The idea would be to save a pdb file with the conservation stored in bfactor (for sharing). In this case I guess there is the issue that one is an atom attribute and the other is residue attribute but one could assign all atoms of the residue the same value.
>>>
>>> Sorry in advance if I miss something obvious.
>>
>>
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