[chimera-dev] Multiple copies using Unit Cell function

Tom Goddard goddard at sonic.net
Tue Jul 9 13:06:15 PDT 2019


The Chimera Unit Cell tool is GUI only so won't run in nogui mode, and even from Python many parts of the code are tied to the GUI.  We try to always have command-line versions of our tools, but some very old ones (Unit Cell is at least 10 years old) don't have that.  You might look at the crystalcontacts Chimera command and see if it will do something close enough to what you need using the "copies true" option and a large enough distance range.

	https://www.cgl.ucsf.edu/chimera/current/docs/UsersGuide/midas/crystalcontacts.html

  Tom


> On Jul 9, 2019, at 8:31 AM, Sunandan Mukherjee wrote:
> 
> Dear Chimera developers,
> 
> I want to generate crystallographic unit cells using information in PDB files with help of Unit Cell function from a script (executed with chimera --nogui) with the following options: Cell origin 0 0 0; Number of cells 2 2 2 and offset 0 0 0. Basically, I need to generate a block consists of multiple unit cells from a script. Please help me.
> 
> Thanks in advance!
> 
> With regards,
> 
> Sunandan
> 
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