[Chimera-users] Residue selection

George Tzotzos gtzotzos at me.com
Thu Nov 14 05:08:27 PST 2013


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 at 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.

Many thanks in advance for your help

Regards

George

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