The problem with pdb2pqr have been solved :)
Another question which I have is the calculation of the potential maps
from the ensemble of the conformers (for example I want to compare
potential distribution from the ensemble of the x-ray structures of one
protein which were solved in different con
Hello,
I'm working with a receptor that has a catalytic Zn and i have to
protonate everything except this atom. I have proved everything to avoid
this protonation (put Zn2+ on the pdb, change the protonation with
builder...etc) without success. Could you please tell me how to do this?
I'm using P
Hi,
Protonate everyone, deprotonate that particular atom
Cheers,
João
2013/4/1
> Hello,
>
> I'm working with a receptor that has a catalytic Zn and i have to
> protonate everything except this atom. I have proved everything to avoid
> this protonation (put Zn2+ on the pdb, change the protona
Hi Camilo,
Currently we only offer this level of access via the C-library, so it's not
accessible to end-users.
The current workaround is to use the move and rotate commands.
Cheers,
-- Jason
On Sun, Mar 31, 2013 at 10:31 AM, Camilo Andrés Jimenez Cruz <
camilo.jimen...@gmail.com> wrote:
> H
