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chain IDs are hard coded as A and B in

See original GitHub issue


            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:closed
  • Created 3 years ago
  • Comments:10 (10 by maintainers)

github_iconTop GitHub Comments

LilySnowcommented, Sep 21, 2020

Perfect! No need to do more tests then 😃

DarioMarzellacommented, Sep 21, 2020

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)?

Read more comments on GitHub >

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