VMD-L Mailing List

From: Satyan Sharma (stynshrm_at_gmail.com)
Date: Tue Jul 26 2022 - 04:46:49 CDT

Hello Peter,

Please look at the file "restypes.dat" (located in directory
/Applications/VMD 1.9.4a51-arm64-Rev9.app/Contents/vmd/scripts/vmd/) where
the residue types are defined. Also there is another file named
"atomselmacros.dat" that also defines residue types (from RASMOL), but I
think this gets overidden by restypes.dat. Changing restypes.dat would just
be effective.
And then the colors for each type are defined in colordefs.dat, in the same
directory.

Hope that helps.
regards,
Satyan Sharma

On Tue, Jul 26, 2022 at 12:42 AM Peter <peter.mawanga.lagos_at_gmail.com>
wrote:

> Hello everyone,
>
> In VMD, the amino acid residues can be colored based on the residue type,
> such as acidic, basic, nonpolar and polar. However, I searched for which
> amino acid residues are allotted to which particular residue type but could
> not find any VMD tutorial or paper that lists the residues for each class.
>
> Could someone please help me with this? Thank you so much for your
> assistance.
>
> --
> Cheers
> Peter
>