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verified publisher icon lupoglaz

Angles2Coords amino-acid parameters and construction

Open lupoglaz opened this issue 7 years ago • 2 comments

We need to refactor Angles2Coords, namely cConformation and cRigidBody classes, such that:

  1. Chemical parameters are defined in one place and can be easily modified
  2. Make Amino-acid construction code less redundant using macroses or templates.

lupoglaz avatar Oct 19 '18 14:10 lupoglaz

Amino-acid construction with macros bdea1633d5014d7c59b15abbc682e179281ad874

lupoglaz avatar Aug 08 '19 21:08 lupoglaz

One atom does not correspond to PeptideBuilder in UnitTest 0693e2d48ec97d8d31aef42e1c56b16dc42faebe

lupoglaz avatar Aug 10 '19 01:08 lupoglaz