Timestamp:
Apr 23, 2021, 8:51:24 PM (5 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.7.0, stable
Children:
e70818
Parents:
51d384a
git-author:
Frederik Heber <frederik.heber@…> (10/07/20 22:21:33)
git-committer:
Frederik Heber <frederik.heber@…> (04/23/21 20:51:24)
Message:

Added BondifyAction.

  • this allows to add non-hydrogen bonds and is complementary to saturate bonds where hydrogens are added.
  • we generate all possible candidate sets taken from non-hydrogen atoms in vicinity with hydrogens and pick one at random.
  • DOCU: added to userguide.
  • TEST: added regression test case.
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