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Maestro2CharmmGUI
Check whether it works:
cd maestro2charmmgui
pytest
# 2 passed, 1 warnining
For usage, see the jupyter notebook for renaming the hydrogens defined in Maestro into CHARMM's definition.
from maestro2charmmgui.rename import transform_resname
# rename the atoms by using a residue-based corresponding dictionary with a single function
input = "path/to/pdbfile.pdb"
output = "path/to/pdbfile_charmm.pdb"
transform_with_resname(input, output)
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