[chimerax-users] (no subject)

[Andrea Dallapè]

Hi Tony,

thank you so much!
This is what I was looking for!

Andrea

Il giorno dom 22 mag 2022 alle ore 23:06 Anthony James Schaefer <
tony.schaefer at uga.edu> ha scritto:

> Andrea,
>
> I've made a script that does approximately what is in your picture. You
> give it two atom selections, and it will display the VDW radii of atoms in
> one group that intersect with the other group. A red line (it's really a
> bunch of small red spheres, but I think it looks fine) is added at the
> intersection.
>
> Opening the script will add the "displayClash" command. To make the
> attached image, I defined a selector called "BINAP" and another called
> "EDA" for the two ligands on this structure. Then, I ran "displayClash EDA
> with BINAP". The command also has a 'scale' option to scale the VDW radii,
> and a 'color' option to change the intersection color (e.g. "displayClash
> EDA with BINAP scale 1.2 color purple").
>
> If you don't want to see the red intersection through the VDW radii, you
> can make it slightly transparent. ChimeraX doesn't display transparent
> things that are behind other transparent things.
>
> I've attached the Python script as a .txt file because Outlook doesn't
> like Python files. You'll have to change the extension to .py before trying
> to open it in ChimeraX.
>
> Best,
>
> Tony
> ------------------------------
> *From:* ChimeraX-users <chimerax-users-bounces at cgl.ucsf.edu> on behalf of
> Andrea Dallapè via ChimeraX-users <chimerax-users at cgl.ucsf.edu>
> *Sent:* Saturday, May 21, 2022 4:38 PM
> *To:* ChimeraX Users Help <chimerax-users at cgl.ucsf.edu>
> *Subject:* [chimerax-users] (no subject)
>
> [EXTERNAL SENDER - PROCEED CAUTIOUSLY]
>
> Dear ChimeraX Team,
>
> I would like to ask you if there's a simple and easy method (without using
> external software) to label the steric clashes, as in the attached image
> (the red line between the ball densities).
>
> Thank you for your help and attention!
>
> Andrea
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.rbvi.ucsf.edu/pipermail/chimerax-users/attachments/20220524/d8ff0646/attachment.html>