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Some minor problems (about line-ending characters and to strip them before parsing atomic information out of them) were reported regarding the hydrated docking scripts. If we want to continue supporting hydrated docking we might want to do a small clean up of the scripts.
The text was updated successfully, but these errors were encountered:
Hi @diogomart, Yes, we could relocate the functions to mk_export.py. We currently don't have a parser for map files in Meeko (?) but it would be great to have one. Feel free to relocate this issue as needed
Some minor problems (about line-ending characters and to strip them before parsing atomic information out of them) were reported regarding the hydrated docking scripts. If we want to continue supporting hydrated docking we might want to do a small clean up of the scripts.
The text was updated successfully, but these errors were encountered: