In the previous email, the third atom is ""the oxygen atom whose residue
number is 1140 which is within 5 Angstrom of residue 322". I am really
sorry for the mistake.
On Thu, Mar 13, 2014 at 9:00 PM, Sajeewa Pemasinghe <sajeewasp.gmail.com>wrote:
> Hi everyone,
>
> I have to specify an angle between an oxygen atom, a phosphorus atom and
> another oxygen atom.
>
> The problem is, due to system being very large, residue numbers repeat
> after 9999. So I have to specify the residue number,the residue name and
> then the atom name.
>
> For the first oxygen atom I have to say "the oxygen atom of the residue
> number 322 whose residue name is POP"
>
> For the phosphorus atom I have to say "the phosphorus atom of the residue
> number 322 whose residue name is POP"
>
> For the last oxygen atom I have to say "the oxygen atom whose residue
> number is 1171 which is within 5 Angstrom of residue 483"
>
> I tried the following methods but all of them give the error "ERROR in
> parsing atom mask: unbalanced parentheses in expression"
>
> angle O_P_W_angle (:322 & :POP).O (:322 & :POP).P1 ((:322 <:5.0) &
> :1140).O out O_P_W_angle_v2.txt
>
> angle O_P_W_angle (:322.O & :POP) (:322.P1 & :POP) (:322 <:5.0) & :1140.Oout O_P_W_angle_v2.txt
>
> Can anybody please advise be on how to correctly specify these three atoms
> to satisfy the above-mentioned criteria?
>
> Thank you very much
>
> Sajeewa Dewage
>
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Received on Thu Mar 13 2014 - 18:30:03 PDT
