molecule:
http://laspmol.lasphub.com/t3/examples/view3D1.asp?show_type=0&pbc=1&laspid=40193493
crystal:
http://laspmol.lasphub.com/t3/examples/view3dt2.asp?ipdb=Cu211&fid=23557265/ssw198087.xyz
derive from the example of three.js
3 Likes
Very cool! Have you thought about creating a function for users to upload their own .xyz files? What do you have in mind for future work?
This work is a part of our laspmol system (still in constructing). One can draw a molecule with 2D structure and we will find out the 3D confomers or isomers for them.
laspmol.lasphub.com
slight_smile: