Messages

1

General Questions and Answers / Re: outputing a file describing bond connectivity

« on: December 2, 2013, 11:35 »

thank you Dr. Blom and Dr. Shinji, i got my answer, i need bond index table as you told me.

2

General Questions and Answers / outputing a file describing bond connectivity

« on: December 1, 2013, 16:00 »

hello all;
I have a xyz format of a structure. i can see the atoms and bonds of this structure but i need a text file that describe the bonds, i mean i need to know which atom is bonded to another. does atk have this ability?

3

General Questions and Answers / Re: build a helically coiled carbon nanotube

« on: November 12, 2013, 16:48 »

thank you, it's exactly what i want, but would u let me know how can i update the TubeWrapper? i tried to copy and paste the attached folder to AddOns forlder of ATK, but it didn't work.

4

General Questions and Answers / Re: build a helically coiled carbon nanotube

« on: November 11, 2013, 18:47 »

thank you dear Dr Blom

we know a helical path is sth like :
x = sin(t)
y = cos(t)
z = t
so if i want to replace this equation on "Transform by Expression" as long as i can't define a parameter "t", how would be that?

5

General Questions and Answers / build a helically coiled carbon nanotube

« on: November 8, 2013, 20:20 »

hello;
is there any way to build a helically coiled carbon nanotube or a nanotorus?

i attached two pictures that show these structures.