[Chimera-users] Using UCSF Chimera inside python environment

[Eric Pettersen]

Unfortunately this is nigh impossible.  First, the entire code base of Chimera is Python 2 and will not import into a Python 3 interpreter, so you can't  use it directly.  Second, the Ensemble Cluster code was written entirely with a graphical user interface in mind, and the computation code can't easily be called directly, even from a Python 2 script.

I don't have any good suggestions for you here that don't involve a Herculean amount of effort.

--Eric

	Eric Pettersen
	UCSF Computer Graphics Lab


> On Dec 9, 2020, at 7:01 AM, Jeff Saxon <jmsstarlight at gmail.com> wrote:
> 
> Dear Chimera Users,
> 
> I would like to use chimera to do some calculations on PDB filles
> (mainly I am interesting to cluster conformations in multi-model PDB
> using Ensemble cluster)
> 
> Could you explain to me how I could install chimera (I am using
> python3 with conda) in order that I could use some of Chimera's
> functions directly inside of my python scripts?
> 
> 
> I have already tried install package pychimers but did not succeed
> 
> conda install -c insilichem pychimera
> 
> nsatisfiableError: The following specifications were found
> 
> to be incompatible with the existing python installation in your environment:
> 
> Specifications:
> 
>  - pychimera -> python[version='2.7.*|>=2.7,<2.8.0a0']
> 
>  - pychimera -> python[version='3.4.*|3.5.*']
> 
> Your python: python=3.8
> 
> May I use chimera with my python using alternative ways of installations?
> 
> Thank you in advance!
> J.
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