[Chimera-users] Selection through bond and fragment naming

Jean Didier Pie Marechal JeanDidier.Marechal at uab.cat
Fri Mar 11 07:42:31 PST 2011


I have a system from which I only have xyz coordinates. What I would like to do is to define myself residue attribute on different fragments of the molecules. Could you tell me how (or if there is a way to ):

1. expand a selection to bonding atoms (i.e. I click on one atom and expand selection through one bond after each actions) This would be of the easiest way for me to select the fragments I want to.
2. set a residue attribute to the given selected fragment. I think I remember how to do so in scripting, but what is the command line to do so?

Kind regards, 


Dr. Jean-Didier Maréchal
The Computational Biotechnological Chemistry Team
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
Edifici C.n.
08193 Cerdanyola (Barcelona)
Tel: +34.935814936
e-mail: JeanDidier.Marechal at uab.es
www: http://asklipio.qf.uab.es

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