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@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. _______________________________________________ Chimera-users mailing list: Chimera-users@cgl.ucsf.edu Manage subscription: https://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users