Allow passing an MDAnalysis AtomGroup as frames
paramater
#358
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component-python
Issues related to the Python code
frames
paramater
#358
A direct passing of an MDAnalysis
AtomGroup
would be very helpful for people from the Bio molecular dynamics field.As @Luthaf already mentioned one should implement a file similar to
https://github.com/lab-cosmo/chemiscope/blob/main/python/chemiscope/structures/_ase.py
A very useful additional parameter to be added, is an option to
slice
the frames to be shown. Since in MDAnalysis, the whole trajectory information is contained in a single object, it will require this additional parameter to allow users to select which frames they want to show. I think, this might be integrated globally for all supported frames object to maintain consistencyAfter a possible integration we can also promote chemiscope on the MDAnalysis website :-)
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