Re: about HIS residue

From: J. Rui Rodrigues (
Date: Sun Dec 21 2003 - 13:47:28 CST

I guess you could set all HIS to HSD and then mutate some HSD to HSE during
segment generation, i.e.,

pdbalias residue HIS HSD
segment PROT {
    pdb your.pdb
    mutate 58 HSE
    mutate 74 HSE

Rui Rodrigues

<> escreveu:

> Dear sir,
> I know I must use alias to modify HIS to HSD,HSE,HSP when I do a MD.
However if
> the system has many HIS residues, I want to modify some to HSD, others to HSE,
> how
> should I do to realize it?

J. Rui Rodrigues
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra

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