Re: about HIS residue

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

Hi,
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

<yxiong_at_mail.ccnu.edu.cn> 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
Portugal

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:18:00 CST