scott_m
scott_m
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Posts in Open Babel
12
Show   Total: 30 items
Date Subject Count Location
Re: Conformer searching 0 replies General discussion
Re: Conformer searching 2 replies General discussion
Re: Conformer searching 4 replies General discussion
Conformer searching 6 replies General discussion
Re: Two smi conversion problems 0 replies General discussion
Re: Two smi conversion problems 2 replies General discussion
Two smi conversion problems 4 replies General discussion
Smiles for diphosphorus 3 replies General discussion
Re: Unable to set up forcefield for coordinates from mol file 0 replies General discussion
Unable to set up forcefield for coordinates from mol file 4 replies General discussion
Cannot set up forcefield for this molecule 1 reply General discussion
Re: UV-Vis inormation in .cml files 0 replies General discussion
Intramolecular Hydrogen bond detection 1 reply General discussion
Indexing in OBmol and OBMolAtomIter 2 replies General discussion
Re: Generating a diverse set of conformers 22 replies General discussion
Generating a diverse set of conformers 24 replies General discussion
Re: Smiles conversion problems with Ion and Zwitterion 7 replies General discussion
Smiles conversion problems with Ion and Zwitterion 9 replies General discussion
MMFF94s force field 1 reply General discussion
OBAlign() error 3 replies General discussion
12