Added Chains flag to command tool #163
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using the residue flag only part of a chain can be treated as ligand to investigate domain-domain interactions
Merge test_chain_feature into feature/chain to base chain feature on current state of development.
…ew bond prioritization and correction in wbridge omega angle compute
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Thank you for your work. I have a few minor suggestions: could you please remove .DS_Store? You may want to add it to the .gitignore file as well. Additionally, I noticed that the .gitignore now includes the tests directory. This seems unrelated to the changes in the repository. |
…inement for chains flag.
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Added newly created chains flag to the plip cmd. Users can now specify chains of interest to analyze protein-protein interactions.
e.g. plip -i 2XA0 --chains "[['A'], ['C']]"
will only compute interactions between chain A (BCL-2) and chain B (BAX).