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YASARA AutoSMILES Server

The AutoSMILES server performs the tasks summarized here, returning the submitted structure with assigned hydrogens, bond orders and charges. Please note the following points:

  • Results will be placed in a public download area, therefore do not submit confidential data.
  • You can also use AutoSMILES directly on your own computer. It is part of YASARA Dynamics and YASARA Structure.
  • This server does not handle transition states. For these you need a local installation of YASARA Dynamics or YASARA Structure.


AutoSMILES Server

Either PDB ID..
..or any other PDB file:
ForceField (charges):
pH (protonation states):