GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.
BSD 3-Clause "New" or "Revised" License
0
stars
0
forks
source link
Add "ion big positive" #27
Closed
pierrepo closed 3 months ago
https://github.com/pierrepo/grodecoder/blob/1a4bb0fa6b62cd8066634b92ea01e18cf6b459c0/mol_def.py#L54