QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: shank on August 12, 2009, 10:11

Title: Drawing big molucule
Post by: shank on August 12, 2009, 10:11

Dear all
While drawing big molecule in atomic manupulator, it is tedious job to insert each X.Y,Z.Is it possible to insert these data directly from dat file.Please help.
with regards
shank

Title: Re: Drawing big molucule
Post by: Anders Blom on August 12, 2009, 10:33

You can import an XYZ file by opening it form the Result Browser.

Title: Re: Drawing big molucule
Post by: shank on August 14, 2009, 21:33

Thanks for reply and help
shank

Title: Re: Drawing big molucule
Post by: rahulprajesh on August 19, 2009, 08:24

hello Mr.Shank ....
                       Can you please send me any dat file(if it works in result browser!!! )  containing the X Y Z coordinates for a big moleculeor or cluster...I'm interested in the clusters and big molecules and I wanna study the properties through ATK software... or tell me from where I can get the coordinates for clusters and big molecules . .. . thanks in advance...

Title: Re: Drawing big molucule
Post by: zh on August 19, 2009, 09:22

try the followings to search your interested molecules:
http://pubchem.ncbi.nlm.nih.gov/ (http://pubchem.ncbi.nlm.nih.gov/)
http://www.nyu.edu/pages/mathmol/library/ (http://www.nyu.edu/pages/mathmol/library/)