VMD-L Mailing List

From: Alexandre Suman de Araújo (alexandre.suman_at_unesp.br)
Date: Thu Mar 23 2023 - 09:53:42 CDT

Hum, I didn't know this features of mol command. Very interesting!

Thanks Diego!!

Alexandre

Em qui, 23 de mar de 2023 15:11, Diego Gomes <diego.enry_at_gmail.com>
escreveu:

> Sure, all you need to do is play around with the selections using modselect
> Here is one way to do it:
>
> # Load a new PDB
> mol new 1ubq
>
> # Step 1: Modify the selection
> mol modselect 0 0 {same residue as within 5 of residue 41}
>
> # Step 2: Modify the Drawing Method
> mol modstyle 0 0 Licorice 0.300000 12.000000 12.000000
> # Optional: Change color.
> mol modcolor 0 0 ColorID 4
>
>
> You may also consider adding a new representation instead
> Here is a way to do it, but notice you need to keep track of the IDs for
> molecule and representation.
>
> # Step 1: Add a new representation to molecule ID "0"
> mol addrep 0
>
> # Step 2: Modify the selection of representation "1" of molecule "0"
> mol modselect 1 0 {same residue as within 5 of residue 41}
>
> # Step 3: Modify the Drawing method of representation "1" of molecule "0"
> mol modstyle 1 0 CPK 1.000000 0.300000 12.000000 12.000000
>
>
> On Thu, Mar 23, 2023 at 4:46 AM Alexandre Suman de Araújo <
> alexandre.suman_at_unesp.br> wrote:
>
>> Hi all.
>>
>> Can I set a selection in TkConsole and display it on the graphic window?
>>
>> Regards
>>
>> Alexandre
>>
>
>
> --
> Diego Enry B. Gomes, PhD
> Department of Physics
> Leach Science Center
> Auburn University
> dgomes_at_auburn.edu
>
> +1 (334) 559-4016
>