A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
|
ATOM 1 N AMK 1 -3.919 2.033 0.000 1.00 0.00 N |
|
ATOM 2 H AMK 1 -2.921 2.036 0.006 1.00 0.00 H |
|
ATOM 3 H1 AMK 1 -4.248 2.967 -0.122 1.00 0.00 H |
|
ATOM 4 H2 AMK 1 -4.249 1.682 0.875 1.00 0.00 H
|
|
|
