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haddocking / pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.
https://haddocking.github.io/pdb-tools/
Apache License 2.0
369 stars 112 forks source link

Improve `pdb_mkensemble` to work as lib #147

Open joaomcteixeira opened 1 year ago

joaomcteixeira commented 1 year ago

Currently, pdb_mkensemble requires file paths to work, which means the pdb_mkensemble.run function cannot take a list of lists (or similar iterators) to make an ensemble. This makes the tool not fully compatible with the lib mode.

To do: improve the pdb_mkensemble.run function to accept a list of lists (of lines) at the same time it can accept file paths.