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rhinowarrior / swifttcr

Apache License 2.0
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postfilter.py| restraints.json is now hardcoded in but ask user for generated file using ClusPro #4

Open rhinowarrior opened 1 month ago

rhinowarrior commented 1 month ago

Now in postfilter.py the restraint file is hard coded and we need to ask the user to input a restraint file that was made in cluspro restraint generator

rhinowarrior commented 1 month ago

we will keep it the same for now since we renumber so this shouldn't be an issue anymore