[Chimera-users] Fwd: command @/serialNumber=#

Francesco Pietra chiendarret at gmail.com
Sun Oct 12 06:11:34 PDT 2014

OK, for molecule 18801-18802

@/serialNumber>18800 and serialNumber<18803

it remains to be seen if it can be used to define a centroid
---------- Forwarded message ----------
From: Francesco Pietra <chiendarret at gmail.com>
Date: Sun, Oct 12, 2014 at 7:05 AM
Subject: command @/serialNumber=#
To: chimera <chimera-users at cgl.ucsf.edu>

I wonder whether it is possible to extend the command

sel @/serialNumber=18801 (as an example of a particular serial number)

to comprise a range of atoms. So as to cover, for example, an entire
ligand, may be dioxygen, 18801-18802. And whether that could be extended to
define a centroid.

it is implied that I have prepared a large system based on segname (charmm
ff with namd), which is not dealt with by chimera.


francesco pietra

PS: I can follow the ligand by defining the centroid for a single atom of
the ligand. This would be my last resource.
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