seems to (if you only have the one water in your pdb file), as does:
select :127.water@O
(which would presumably limit the selection to the one water molecule)
- Mark
From: chimera-users-bounces@cgl.ucsf.edu [chimera-users-bounces@cgl.ucsf.edu] on behalf of George Tzotzos [gtzotzos@me.com] Sent: Thursday, November 14, 2013 8:08 AM To: chimera List Subject: [Chimera-users] Residue selection
I'm attaching a pdb file of a protein ligand complex with a single conserve water molecule. The pdb file was constructed with Antechamber Leap. The water molecule is numbered as residue 127. When I try to select using: select :127 nothing
happens. Selection works with: select :WAT
The problem is that I need to monitor the distance between :127@O and a particular atom in the binding site of the protein during an MD trajectory.
My question is if I'm doing something wrong with the residue selection.