[gmx-users] DSSP regardin

RAHUL SURESH drrahulsuresh at gmail.com
Sun Mar 17 16:18:05 CET 2019


Thank you so much Mr Mat.

That was very usual.

On Sat, Mar 16, 2019 at 10:27 PM Mateusz Bieniek <bieniekmat at gmail.com>
wrote:

> Hi Rahul,
>
> I've run into a similar issue a year ago. It is possible to configure gmx
> with the extra configuration file (as described in the documentation) to
> get this right.
>
> However, I found it to be archaic and wrote my own quick DSSP visualiser in
> matplotlib.
>
> I am planning to improve the code and release it with the next paper, but
> for now I attach the simple one.
>
> Note that not all dssp letters/secondary structures have been added, so you
> might need to add more colors:
> colors = {
>     coil_char: "#FFFFFF",
>     bsheet_char: "#FF0000",
>     bbridge_char: "#000000",
>     bend_char: "#008000",
>     turn_char: "#FFFF00",
>     three_helix_char: "#808080",
>           }
>
>
> Hope this helps, Mat
>
>
>
>
> On Fri, 15 Mar 2019 at 17:06, RAHUL SURESH <drrahulsuresh at gmail.com>
> wrote:
>
> > Hi Users.
> >
> > I have Performed dssp for 1000ns simulation. On converting the xpm to
> eps,
> > the axis are not visible to any extent. I have tried with different
> values
> > and I couldn't obtain a good image. Can anyone pass possible  suitable
> > commands for long simulations to obtain a satisfactory image?
> >
> > --
> > *Regards,*
> > *Rahul *
> > --
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-- 
*Regards,*
*Rahul *


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