QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: icunk on April 7, 2010, 15:41

Title: new molecule
Post by: icunk on April 7, 2010, 15:41

guys...if i want to building a new molecule that wasn't on the molecular builder on vnl ..how to make a new code on the ATK?

Title: Re: new molecule
Post by: zh on April 8, 2010, 06:54

i) search the structure of the molecule on internet;
ii) create the small part of the molecule one by one, and then joint them together by means of the functionality of the Molecular builder.

Indeed, your question is too broad to get a detailed answer.

Title: Re:thx
Post by: icunk on April 9, 2010, 09:53

to Zh, thank's alot for your answer..
basically, i was a new user of vnl for my final task (first grade),so i have many problem...

Title: Re: new molecule
Post by: zdhlover on April 9, 2010, 10:00

 ;D ;D ;D

Which version do you use now,vnl 2010.  or vnl before 2008.10 ?

Title: Re: new molecule
Post by: icunk on April 9, 2010, 15:20

i have been used vnl 2008.10
 

Title: Re: new molecule
Post by: zdhlover on April 9, 2010, 16:35

you can  conveniently build molecular use the Molecular Builder in vnl 2008.10 through Geometry Manager and Periodic Tableor use the Cupboard as the template.