Structure optimization

User 0b2323d196

07-11-2014 11:06:50

Hello.


I have been previously using HyperChem for structural optimization (molecular mechanical MM+ algorithm and others).


Can You please tell me how to do it using ChemAxon soft. Which programm for that is better and how to do that?


Thanks a lot.

ChemAxon d51151248d

07-11-2014 13:32:51

Dear Oleskii, 


Our softwares use the so called Generate3D module for 3D coordinate- and conformer generation. The functionality of the module can be reached via different products of ChemAxon. To have a general guideline of the usage, please see the following manual:


https://docs.chemaxon.com/display/CALCPLUGS/Generate3D


If you have further questions, please feel free to ask us.


Daniel