[Chimera-users] vector from atom

Fabian gmail fabian.glaser at gmail.com
Wed Jun 29 07:26:21 PDT 2016


I have an ion in a membrane transporter which I am simulating in MD, now, I need in order to pull the ion outside the transporter to use a vector to identify a water molecule which is exactly in the direction of the exit tunnel. For that purpose I need to draw such a vector or to at least identify a water molecule in the right direction. Can Chimera help me with that?

I mean is there a way to identify which water is on the exact pathway of the ion exit?

How can I do it?

Thanks a lot in advance,


Fabian Glaser
Head of the Structural  Bioinformatics section 

Bioinformatics Knowledge Unit - BKU
The Lorry I. Lokey Interdisciplinary Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa 32000, ISRAEL

fglaser at technion dot ac dot il
Tel:    +972 4 8293701

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