QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: arpit on March 25, 2011, 07:45

Title: Regarding to molecular builder in ATK-11.2
Post by: arpit on March 25, 2011, 07:45

sir how we can built molecules in ATK 11.2 .....as their is a separate MOLECULAR BUILDER option in ATk- 10.8....plz give me the detailed information about this feature......

Title: Re: Regarding to molecular builder in ATK-11.2
Post by: Anders Blom on March 25, 2011, 11:11

To be honest, the best way to use complex molecules in ATK 11.2 is to import them (as xyz files). There are several other builders you can use which can export xyz, or of course you can still use the Molecular Builder in 2008.10 and export the Python script - ATK 11.2 can understand it. In future editions of ATK there will again be a molecular builder, although we cannot say precisely in which version it will appear.

Title: Re: Regarding to molecular builder in ATK-11.2
Post by: arpit on March 25, 2011, 14:51

Thank you very much sir