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Improve `pdb_mkensemble` to work as lib

Open joaomcteixeira opened this issue 3 years ago • 0 comments

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.

joaomcteixeira avatar Oct 05 '22 08:10 joaomcteixeira