-
- Downloads
improve GuessAtomElement
It seems, just looking at the number of atoms is not enough, we also have to look at the hetatm flag. The whole element guessing code is still quite shaky and should be improved.
Showing
- modules/conop/src/heuristic.cc 1 addition, 1 deletionmodules/conop/src/heuristic.cc
- modules/conop/src/processor.cc 2 additions, 2 deletionsmodules/conop/src/processor.cc
- modules/conop/src/processor.hh 2 additions, 1 deletionmodules/conop/src/processor.hh
- modules/conop/src/rule_based.cc 2 additions, 2 deletionsmodules/conop/src/rule_based.cc
Loading
Please register or sign in to comment