1Q9A should be parsed to see if SuiteName can handle alternate conformations

ReliaSolve / Molprobity2

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1Q9A should be parsed to see if SuiteName can handle alternate conformations #116

Closed russell-taylor closed 3 years ago

russell-taylor commented 3 years ago

@Joymaker Please address and close this issue.

Joymaker commented 3 years ago

Depended upon fully solving the problem of computing dihedral angles from PDB files without the restraints manager. Done. Conformer A perfectly matches the output of the old C code. (Conformer B could not be got through the old C code with tools in hand.)