>
> I'm a PhD student. In my research, I'm using Obabel and have a problem
> with this. After converting the molecules to physiological pH, deprotonated
> molecules are not obtained in phosphate groups.
>
I’m not sure if I understand. Basically, you want a tool that’s going to
adjust protonation f
I'm a PhD student. In my research, I'm using Obabel and have a problem with
this. After converting the molecules to physiological pH, deprotonated
molecules are not obtained in phosphate groups.
Is there a solution for this? Does a script exist for this?
I hope that somebody can help me.
Virginia
