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chain IDs are hard coded as A and B in AtomicFeature.py
See original GitHub issueIn AtomicFeature.py:
xyzA = np.array(self.sqldb.get('x,y,z', chainID='A'))
xyzB = np.array(self.sqldb.get('x,y,z', chainID='B'))
chargeA = np.array(self.sqldb.get('CHARGE', chainID='A'))
chargeB = np.array(self.sqldb.get('CHARGE', chainID='B'))
Issue Analytics
- State:
- Created 3 years ago
- Comments:10 (10 by maintainers)
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Perfect! No need to do more tests then 😃
In branch issue198 they have already been modified (from Cunliang I guess) to chain C and D (from A and B). Do you want me to write another test case with other chain IDs (or with other proteins)?