Frog 2.14 (february 2011) :

• Accepts 2D and 3D input.
• Unambiguates 2D (expand the different chiral and ZE forms).
• Generates 3D conformation from 2D representation.
• Generates 3D multi-conformer from 2D or 3D representation.
• Minimizes conformers.

New: Frog2.1 source code released.
For more details, please check the Frog2 documentation.

Ancillary tools :

• Format interconversion:
• Draw compound:
• Remove salt:
• Minimize Compounds:

Input type: 1D2D 3D	Input format: smiles sdf mol2
Upload a file (smiles, sdf, mol2)
or paste smiles (no blank lines) C(N1CC[NH+](CC1)CC=Cc1ccccc1)(c1ccc(cc1)OC)=O O=C1N(CCCN(CC)CC)[C@]([H])(C(=C1O)C(=O)C=2C(C)=C(NC=2C)C(=O)OCC)C=3C=NC=CC=3 CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N1CCC1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O

---

Output : sdf mol2 pdb
Disambiguate : yes no	stage2 MC : yes no	Minimize : yes auto no
Produce : Single Multi	#conf :	over : overall per stereoisomer
E window :	E max :	RMSd : 0.8 1.0 1.2