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 - 18:30:02 PDT
