[Chimera-users] Atom box

[Elaine Meng]

Hi Clara,
Maybe you want the “vop cover” command with “atomBox” option.  Also, this makes a new volume, so you would measure that new volume (not #0).

For example, commands:

open edsID:1a0m
open 1a0m

… now the map is #0 and the atomic model is #1 …

~ribbon
display
volume #0 level 0.7
sel :6.a
vop cover #0 atomBox sel

… this makes new map #2 …  there is also a “pad" option, see 
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/vop.html#cover>

volume #0 hide
measure volume #2

However, is that really what you want to measure, the volume inside the isosurface within a rectangular box?  See also the Volume Viewer “Zone” feature and/or command “vop zone.”
<http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/volumeviewer/volumeviewer.html#zone>
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/vop.html#zone>

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Oct 8, 2019, at 8:32 AM, MARIA CLARA BLANES MIRA <c.blanes at goumh.umh.es> wrote:
> 
> Dear Chimera experts,
> I have been measuring surface volumes by using the atom box option in order to obtain a surface slice volume and then the volume measure.  But how could I use the atom box in the command line?
> Thank you!
> clara
> 
> import chimera
> import os
> from chimera import runCommand
> runCommand(’sel :2.A,19.A,25.A, 5.B, 23.B, 26.B’)  # to define the box
> runCommand(‘atomBox ????’)
> runCommand('measure volume #0')
> runCommand('close all')