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
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