Nina Jeliazkova
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2016-06-24
- Group: AMBIT Web services --> AMBIT 3.0.3
3D structure: in addition to the 2D structures, the 3D structure for stereo-molecular will be also displayed by running a certain model.
1) For the structures with 3D coordinates already stored in the database, this requires only adding a 3D viewer (e.g. JMol)
2) For the structures with 2D only, it means running one of the existing structure optimisation algorithms (e.g. /ambit2/algorithm?type=Structure ) , which stores the 3D structures ihe database. Then apply 1)