Comments (1)
There is already a work in progress... I hope it can be finished soon.
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Related Issues (20)
- basic.contains() function should work on attributes and selections HOT 1
- Selection native syntax should be enriched HOT 1
- We need OpenMM reporters with atom_indices as input argument.
- basic.select method can be faster when `element` is diferent from 'atom' and `syntax='MolSysMT'`
- Implementing or removing digest_box in digest/box.py HOT 1
- Can digest_box_vectors, digest_box_lengths, digest_box_angles be merged in a single method?
- Some digestion methods need to be implemented HOT 1
- Exceptions reporting more information HOT 1
- Are former auxiliary functions in private module `lists_and_tuples` necessary? HOT 1
- Can the omnipresent argument "check" be avoided? HOT 1
- Do we need a MolecularSystemNeeded error? HOT 1
- Function to convert mmtf files to mdtraj needs to be reviewed.
- Comparing a selection (taking the value of a numpy ndarray) with 'all'
- Adding functions to get and add missing bonds HOT 1
- New class iterator in the module `structure` to work with trajectories. HOT 1
- Do we need a private method to compare selections, indices, and structure_indices with 'all'? HOT 1
- Is the input argument 'caller' in private exception classes avoidable? HOT 1
- The argument 'check' needs to be removed (now we have @digest).
- Is there a way to add a color bar to an nglview.NGLWidget?
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