Move RESIDUE_CODE_TO_POLAR_HYDROGENS_TUPLE_DICT to parameter file (e.g., just like amb.crg.oxt) and load dict from said file. This would allow blastermaster to work in the case of tarting, which requires defining custom residue codes that would not be present as keys in RESIDUE_CODE_TO_POLAR_HYDROGENS_TUPLE_DICT.
ianscottknight
commented
1 year ago
Move RESIDUE_CODE_TO_POLAR_HYDROGENS_TUPLE_DICT to parameter file (e.g., just like amb.crg.oxt) and load dict from said file. This would allow blastermaster to work in the case of tarting, which requires defining custom residue codes that would not be present as keys in RESIDUE_CODE_TO_POLAR_HYDROGENS_TUPLE_DICT.