This issue reminds me that OESpruce will not always build all missing sidechains, especially if all rotamers in its rotamer library will lead to a clash with the already existing protein atoms. A possible solution would be to integrate pdbfixer for those situations, which does not care about atom clashes at all.
This issue reminds me that OESpruce will not always build all missing sidechains, especially if all rotamers in its rotamer library will lead to a clash with the already existing protein atoms. A possible solution would be to integrate
pdbfixerfor those situations, which does not care about atom clashes at all.