Hi,
I got all the atomic coordinates (x,y,z) in COSMO-file, now I want to use those coordinates to determine the connectivity of all atoms.
For example, in CH4, C connected by four H, and every H connected by one C.
Is there anyone knows about it? Thank u very much.
I got all the atomic coordinates (x,y,z) in COSMO-file, now I want to use those coordinates to determine the connectivity of all atoms.
For example, in CH4, C connected by four H, and every H connected by one C.
Is there anyone knows about it? Thank u very much.
