Improve `pdb_mkensemble` to work as lib

haddocking / pdb-tools

A dependency-free cross-platform swiss army knife for PDB files.

https://haddocking.github.io/pdb-tools/

Apache License 2.0

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Improve `pdb_mkensemble` to work as lib #147

Open joaomcteixeira opened 2 years ago

joaomcteixeira commented 2 years 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.