Molecule orientation preserved?

User ec47cc00a1

29-09-2010 18:21:34

Is it possible to preserve the structure orientation of the molecule "as drawn", as opposed to having the structure automatically rotated by Marvin?


Is there any other method of normalizing structure orientation to allign similar structures?


 


thanks,


a

ChemAxon 7c2d26e5cf

30-09-2010 07:51:26

Which format do you use?


Save the structure in MRV, in MDL molfile or in any other format that stores coordinates.


Probably, you save your structures in SMILES, in InChi or in IUPAC name that does not contains coordinate information.


In this case. Marvin calculate 2D coordinates itself.