[Apbs-users] phosphorylated residues

[L. M. Espinoza-F. <me...@dd...>]

Hi,

I tried to create a pqr file of a phosphorylated peptide (P-Ser) using
the pdb2pqr server. However, I noticed that the server doesn't support
phosphorylated residues. I tried to use a modified version of the
CHARMM.DAT file (the pdb files I'm submitting are CHARMM-formatted)
with no luck. Is there a way to include charges and radii for
phosphorylated residues or I need to assign them manually (I'd rather
avoid the latter)?

Thanks!
Michel