I don't need optimization, just an inclusion of the phosphate group would be perfect!
I am working on doing molecular dynamics simulations on a specific phosphorylated protein, but I am having some difficulties finding a method to phoshporylate my PDB model. I was wondering if there are any programs available (aside from PyTMs in PyMOL) that can phosphorylate singular residues in a protein? I cannot seem to get PyTMs to work on either my Linux or Windows computer.
Thank you ahead of time, this would be extremely helpful!
EDIT: Additionally if anyone knows if it is possible to edit PDB files manually or use GaussView that would be great!
- Michael