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This is the largest change to the qFit code. The following structure objects need to be converted from qFit to CCBTX:
The functionality of structure objects sits within the structure folder.
We need to implement new ways to:
This code exists in qFit_protein.py qFit_residue.py qFit_ligand.py qfit.py
The following functions in qfit.py will need to be changed:
get_conformers update_conformers
The text was updated successfully, but these errors were encountered:
start switch to using iotbx objects internally for most structure data …
9950fce
…ExcitedStates#235
start to use iotbx.pdb.hierarchy groupings ExcitedStates#235
9697c6c
remove obsolete atom selection code ExcitedStates#235
e0ebf94
natechols
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This is the largest change to the qFit code. The following structure objects need to be converted from qFit to CCBTX:
The functionality of structure objects sits within the structure folder.
We need to implement new ways to:
This code exists in
qFit_protein.py
qFit_residue.py
qFit_ligand.py
qfit.py
The following functions in qfit.py will need to be changed:
get_conformers
update_conformers
The text was updated successfully, but these errors were encountered: